Benzyl halides

Benzyl chloride, 99.5+%, extra pure, stabilized, ACROS Organics™

CAS: 100-44-7 Molecular Formula: C7H7Cl Molecular Weight (g/mol): 126.583 MDL Number: MFCD00000889 InChI Key: KCXMKQUNVWSEMD-UHFFFAOYSA-N Synonym: benzyl chloride, chloromethyl benzene, benzylchloride, alpha-chlorotoluene, benzylchlorid, chlorophenylmethane, benzene, chloromethyl, chlorure de benzyle, tolyl chloride, alpha-chlortoluol PubChem CID: 7503 ChEBI: CHEBI:615597 IUPAC Name: chloromethylbenzene SMILES: C1=CC=C(C=C1)CCl

Alfa Aesar™ 4-Ethylbenzyl chloride, 97%, stab. with calcium carbonate

CAS: 1467-05-6 Molecular Formula: C9H11Cl Molecular Weight (g/mol): 154.637 MDL Number: MFCD00039357 InChI Key: DUBCVXSYZVTCOC-UHFFFAOYSA-N Synonym: 4-ethylbenzyl chloride, 1-chloromethyl-4-ethylbenzene, p-ethylbenzylchloride, p-ethylbenzyl chloride, benzene, 1-chloromethyl-4-ethyl, ethyxlbenzylchloride, 4-ethylbenzylchloride, 1-chloromethyl-4-ethyl-benzene, 4-chloromethyl-1-ethylbenzene, 4-ethylbenzyl chloride contains ca 2-form PubChem CID: 73843 IUPAC Name: 1-(chloromethyl)-4-ethylbenzene SMILES: CCC1=CC=C(C=C1)CCl

Benzyl Bromide, 99%, Alfa Aesar™

CAS: 100-39-0 Molecular Formula: C7H7Br Molecular Weight (g/mol): 171.037 MDL Number: MFCD00000172 InChI Key: AGEZXYOZHKGVCM-UHFFFAOYSA-N Synonym: benzyl bromide, bromomethyl benzene, alpha-bromotoluene, bromophenylmethane, benzene, bromomethyl, phenylmethyl bromide, 1-bromotoluene, benzylbromide, cyclite PubChem CID: 7498 ChEBI: CHEBI:59858 IUPAC Name: bromomethylbenzene SMILES: C1=CC=C(C=C1)CBr

4-Methoxybenzylchloride, 98%, stabilized, ACROS Organics™

CAS: 824-94-2 Molecular Formula: C8H9ClO Molecular Weight (g/mol): 156.61 MDL Number: MFCD00000915 InChI Key: MOHYOXXOKFQHDC-UHFFFAOYSA-N Synonym: 4-methoxybenzyl chloride, 4-methoxybenzylchloride, 1-chloromethyl-4-methoxybenzene, p-methoxybenzyl chloride, p-anisyl chloride, alpha-chloro-4-methoxytoluene, p-chloromethyl anisole, benzene, 1-chloromethyl-4-methoxy, 4-chloromethyl anisole, anisole, p-chloromethyl PubChem CID: 69993 IUPAC Name: 1-(chloromethyl)-4-methoxybenzene SMILES: COC1=CC=C(C=C1)CCl

4-Chlorobenzyl chloride, 99+%, ACROS Organics™

CAS: 104-83-6 Molecular Formula: C7H6Cl2 Molecular Weight (g/mol): 161.03 MDL Number: MFCD00000914 InChI Key: JQZAEUFPPSRDOP-UHFFFAOYSA-N Synonym: 4-chlorobenzyl chloride, 1-chloro-4-chloromethyl benzene, p-chlorobenzyl chloride, benzene, 1-chloro-4-chloromethyl, alpha,4-dichlorotoluene, 4-chlorobenzylchloride, 4-chlorophenyl methyl chloride, 1-chloro-4-chloromethyl-benzene, alpha,p-dichlorotoluene, toluene, p,alpha-dichloro PubChem CID: 7723 IUPAC Name: 1-chloro-4-(chloromethyl)benzene SMILES: C1=CC(=CC=C1CCl)Cl

Methyl 4-(bromomethyl)benzoate, 98%, ACROS Organics™

CAS: 2417-72-3 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.07 MDL Number: MFCD00032453 InChI Key: NLWBJPPMPLPZIE-UHFFFAOYSA-N Synonym: methyl 4-bromomethyl benzoate, 4-bromomethylbenzoic acid methyl ester, methyl4-bromomethyl benzoate, benzoic acid, 4-bromomethyl-, methyl ester, 4-bromomethyl benzoic acid methyl ester, p-methoxycarbonyl benzyl bromide, methyl p-bromomethyl benzoate, 4-bromomethyl-benzoic acid methyl ester, 4-carbomethoxybenzyl bromide PubChem CID: 256687 IUPAC Name: methyl 4-(bromomethyl)benzoate SMILES: COC(=O)C1=CC=C(C=C1)CBr

Benzyl bromide, 98%, ACROS Organics™

CAS: 100-39-0 Molecular Formula: C7H7Br Molecular Weight (g/mol): 171.04 MDL Number: MFCD00000172 InChI Key: AGEZXYOZHKGVCM-UHFFFAOYSA-N Synonym: benzyl bromide, bromomethyl benzene, alpha-bromotoluene, bromophenylmethane, benzene, bromomethyl, phenylmethyl bromide, 1-bromotoluene, benzylbromide, cyclite PubChem CID: 7498 ChEBI: CHEBI:59858 IUPAC Name: bromomethylbenzene SMILES: C1=CC=C(C=C1)CBr

Benzyl chloride, 99%, pure, stabilized, ACROS Organics™

CAS: 100-44-7 Molecular Formula: C7H7Cl Molecular Weight (g/mol): 126.59 MDL Number: MFCD00000889 InChI Key: KCXMKQUNVWSEMD-UHFFFAOYSA-N Synonym: benzyl chloride, chloromethyl benzene, benzylchloride, alpha-chlorotoluene, benzylchlorid, chlorophenylmethane, benzene, chloromethyl, chlorure de benzyle, tolyl chloride, alpha-chlortoluol PubChem CID: 7503 ChEBI: CHEBI:615597 IUPAC Name: chloromethylbenzene SMILES: C1=CC=C(C=C1)CCl

α-Bromo-2,3,4,5,6-pentafluorotoluene, 97%, ACROS Organics™

CAS: 1765-40-8 Molecular Formula: C7H2BrF5 Molecular Weight (g/mol): 260.98 MDL Number: MFCD00000299 InChI Key: XDEPVFFKOVDUNO-UHFFFAOYSA-N Synonym: 2,3,4,5,6-pentafluorobenzyl bromide, pentafluorobenzyl bromide, 1-bromomethyl-2,3,4,5,6-pentafluorobenzene, 1-bromomethylpentafluorobenzene, alpha-bromo-2,3,4,5,6-pentafluorotoluene, bromomethyl pentafluorobenzene, benzene, bromomethyl pentafluoro, 2,3,4,5,6-pentafluorobenzylbromide, pfbbr, pentafluorobenzylbromide PubChem CID: 74484 IUPAC Name: 1-(bromomethyl)-2,3,4,5,6-pentafluorobenzene SMILES: C(C1=C(C(=C(C(=C1F)F)F)F)F)Br

Benzyl chloride, 99%, stab., Alfa Aesar™

CAS: 100-44-7 Molecular Formula: C7H7Cl Molecular Weight (g/mol): 126.583 MDL Number: MFCD00000889 InChI Key: KCXMKQUNVWSEMD-UHFFFAOYSA-N Synonym: benzyl chloride, chloromethyl benzene, benzylchloride, alpha-chlorotoluene, benzylchlorid, chlorophenylmethane, benzene, chloromethyl, chlorure de benzyle, tolyl chloride, alpha-chlortoluol PubChem CID: 7503 ChEBI: CHEBI:615597 IUPAC Name: chloromethylbenzene SMILES: C1=CC=C(C=C1)CCl

Alfa Aesar™ 4-Bromomethyl-3-fluorobenzeneboronic acid pinacol ester, 96%

CAS: 1150271-74-1 Molecular Formula: C13H17BBrFO2 Molecular Weight (g/mol): 314.989 InChI Key: OOTPRFIHAFABSN-UHFFFAOYSA-N Synonym: 2-4-bromomethyl-3-fluorophenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 4-bromomethyl-3-fluorophenylboronic acid, pinacol ester, 4-bromomethyl-3-fluorobenzeneboronic acid, pinacol ester, 4-bromomethyl-3-fluorophenyl boronic acid pinacol ester PubChem CID: 46739422 IUPAC Name: 2-[4-(bromomethyl)-3-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)CBr)F

4-(Chloromethyl)benzyl alcohol, 97%, ACROS Organics™

CAS: 16473-35-1 Molecular Formula: C8H9ClO Molecular Weight (g/mol): 156.61 InChI Key: OGALXJIOJZXBBP-UHFFFAOYSA-N Synonym: 4-chloromethyl benzyl alcohol, 4-chloromethyl phenyl methanol, 4-chloromethyl-phenyl-methanol, 4-chloromethylbenzyl alcohol, benzenemethanol, 4-chloromethyl, 4-chloromethyl benzylalcohol, acmc-20a8hi, p-hydroxymethylbenzyl chloride, 4-hydroxymethylbenzyl chloride PubChem CID: 5107660 IUPAC Name: [4-(chloromethyl)phenyl]methanol SMILES: C1=CC(=CC=C1CO)CCl

alpha,alpha'-Dibromo-m-xylene, 97%, ACROS Organics™

CAS: 626-15-3 Molecular Formula: C8H8Br2 Molecular Weight (g/mol): 263.95 InChI Key: OXHOPZLBSSTTBU-UHFFFAOYSA-N Synonym: 1,3-bis bromomethyl benzene, m-xylylene dibromide, alpha,alpha'-dibromo-m-xylene, benzene, 1,3-bis bromomethyl, m-bis bromomethyl benzene, m-xylylene bromide, ccris 1777, m-xylyene dibromide, m-xylene, .alpha.,.alpha.'-dibromo, m-.alpha.,.alpha.'-dibromoxylene PubChem CID: 69373 IUPAC Name: 1,3-bis(bromomethyl)benzene SMILES: C1=CC(=CC(=C1)CBr)CBr

Alfa Aesar™ 4-Bromobenzyl bromide, 98+%

CAS: 589-15-1 Molecular Formula: C7H6Br2 Molecular Weight (g/mol): 249.933 MDL Number: MFCD00000179 InChI Key: YLRBJYMANQKEAW-UHFFFAOYSA-N Synonym: 4-bromobenzyl bromide, 1-bromo-4-bromomethyl benzene, p-bromobenzyl bromide, alpha,p-dibromotoluene, alpha,4-dibromotoluene, benzene, 1-bromo-4-bromomethyl, 4-bromobenzylbromide, unii-3d1ttl8bgn, a,p-dibromotoluene, 4-bromo benzyl bromide PubChem CID: 68527 IUPAC Name: 1-bromo-4-(bromomethyl)benzene SMILES: C1=CC(=CC=C1CBr)Br

Alfa Aesar™ 3-Methoxybenzyl chloride, 98+%

CAS: 824-98-6 Molecular Formula: C8H9ClO Molecular Weight (g/mol): 156.609 MDL Number: MFCD00000907 InChI Key: VGISFWWEOGVMED-UHFFFAOYSA-N Synonym: 3-methoxybenzyl chloride, 1-chloromethyl-3-methoxybenzene, m-methoxybenzyl chloride, m-chloromethyl anisole, benzene, 1-chloromethyl-3-methoxy, anisole, m-chloromethyl, 3-methoxybenzylchloride, 3-chloromethyl anisole, 3-methoxy benzyl chloride, benzyl chloride,3-methoxy PubChem CID: 69994 IUPAC Name: 1-(chloromethyl)-3-methoxybenzene SMILES: COC1=CC=CC(=C1)CCl

Alfa Aesar™ 4-Chlorobenzyl chloride, 98+%

CAS: 104-83-6 Molecular Formula: C7H6Cl2 Molecular Weight (g/mol): 161.025 MDL Number: MFCD00000914 InChI Key: JQZAEUFPPSRDOP-UHFFFAOYSA-N Synonym: 4-chlorobenzyl chloride, 1-chloro-4-chloromethyl benzene, p-chlorobenzyl chloride, benzene, 1-chloro-4-chloromethyl, alpha,4-dichlorotoluene, 4-chlorobenzylchloride, 4-chlorophenyl methyl chloride, 1-chloro-4-chloromethyl-benzene, alpha,p-dichlorotoluene, toluene, p,alpha-dichloro PubChem CID: 7723 IUPAC Name: 1-chloro-4-(chloromethyl)benzene SMILES: C1=CC(=CC=C1CCl)Cl

Alfa Aesar™ 3-Bromo-4-fluorobenzyl bromide, 97%

CAS: 78239-71-1 Molecular Formula: C7H5Br2F Molecular Weight (g/mol): 267.923 MDL Number: MFCD09037367 InChI Key: ZRWSODQPUJMFRV-UHFFFAOYSA-N Synonym: 3-bromo-4-fluorobenzyl bromide, 2-bromo-4-bromomethyl-1-fluorobenzene, 3-bromo-4-fluorobenzylbromide, benzene, 2-bromo-4-bromomethyl-1-fluoro, 2-bromanyl-4-bromomethyl-1-fluoranyl-benzene, pubchem24015, acmc-209pdt, 3-bromo-4-fluoro-benzyl bromide, 2-bromo-4-bromomethyl-1-fluoro-benzene, benzene,2-bromo-4-bromomethyl-1-fluoro PubChem CID: 12922710 IUPAC Name: 2-bromo-4-(bromomethyl)-1-fluorobenzene SMILES: C1=CC(=C(C=C1CBr)Br)F

Alfa Aesar™ 2,4-Difluorobenzyl chloride, 97%

CAS: 452-07-3 Molecular Formula: C7H5ClF2 Molecular Weight (g/mol): 162.564 MDL Number: MFCD01090988 InChI Key: XPGHWBDZNQUUQD-UHFFFAOYSA-N Synonym: 2,4-difluorobenzyl chloride, 1-chloromethyl-2,4-difluorobenzene, 2,4-difluorobenzylchloride, 2,4-difluoro-benzyl chloride, alpha-chloro-2,4-difluorotoluene, benzene, 1-chloromethyl-2,4-difluoro, 2, 4-difluorobenzyl chloride, pubchem4912, 1-chloromethyl-2,4-difluoro-benzene, ksc588m7l PubChem CID: 2736948 IUPAC Name: 1-(chloromethyl)-2,4-difluorobenzene SMILES: C1=CC(=C(C=C1F)F)CCl

Alfa Aesar™ 2,4,5-Trifluorobenzyl chloride, 97%

CAS: 243139-71-1 Molecular Formula: C7H4ClF3 Molecular Weight (g/mol): 180.554 MDL Number: MFCD00236319 InChI Key: JMXPOOVDUVHJRO-UHFFFAOYSA-N Synonym: 2,4,5-trifluorobenzyl chloride, 1-chloromethyl-2,4,5-trifluorobenzene, 2,4,5-trifluorobenzylchloride, 2,4,5-trifluorobenzyl choride, benzene, 1-chloromethyl-2,4,5-trifluoro, alpha-chloro-2,4,5-trifluorotoluene, 1-chloromethyl-2,4,5-trifluoro-benzene, pubchem4024, acmc-1cjlx PubChem CID: 2777063 IUPAC Name: 1-(chloromethyl)-2,4,5-trifluorobenzene SMILES: C1=C(C(=CC(=C1F)F)F)CCl

Alfa Aesar™ 3-Methyl-5-(pentafluorothio)benzyl bromide, 97%

CAS: 1240257-48-0 Molecular Formula: C8H8BrF5S Molecular Weight (g/mol): 311.108 MDL Number: MFCD16652481 InChI Key: ZRHPUHTTXXCZFI-UHFFFAOYSA-N Synonym: 3-methyl-5-pentafluorosulfur benzyl bromide, 3-methyl-5-pentafluorothio benzyl bromide, 1-bromomethyl-3-methyl-5-pentafluoro-??-sulfanyl benzene PubChem CID: 66523600 IUPAC Name: [3-(bromomethyl)-5-methylphenyl]-pentafluoro-$l^{6}-sulfane SMILES: CC1=CC(=CC(=C1)S(F)(F)(F)(F)F)CBr

3-Nitrobenzyl chloride, 99%, ACROS Organics™

CAS: 619-23-8 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00007272 InChI Key: APGGSERFJKEWFG-UHFFFAOYSA-N Synonym: 3-nitrobenzyl chloride, 1-chloromethyl-3-nitrobenzene, m-nitrobenzyl chloride, alpha-chloro-3-nitrotoluene, benzene, 1-chloromethyl-3-nitro, toluene, alpha-chloro-m-nitro, .alpha.-chloro-m-nitrotoluene, unii-ojl133898o, 3-nitrobenzylchloride, ccris 2324 PubChem CID: 12078 IUPAC Name: 1-(chloromethyl)-3-nitrobenzene SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])CCl

Alfa Aesar™ 4-Fluoro-3-(trifluoromethoxy)benzyl bromide, 97%

CAS: 86256-50-0 Molecular Formula: C8H5BrF4O Molecular Weight (g/mol): 273.025 MDL Number: MFCD06660256 InChI Key: FSUYOYNASUIPRL-UHFFFAOYSA-N Synonym: 4-fluoro-3-trifluoromethoxy benzyl bromide, 4-bromomethyl-1-fluoro-2-trifluoromethoxy benzene PubChem CID: 15582614 IUPAC Name: 4-(bromomethyl)-1-fluoro-2-(trifluoromethoxy)benzene SMILES: C1=CC(=C(C=C1CBr)OC(F)(F)F)F

4-Nitrobenzyl chloride, 99%, ACROS Organics™

CAS: 100-14-1 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00007374 InChI Key: KGCNHWXDPDPSBV-UHFFFAOYSA-N Synonym: 4-nitrobenzyl chloride, 1-chloromethyl-4-nitrobenzene, p-nitrobenzyl chloride, alpha-chloro-4-nitrotoluene, 4-nitrobenzylchloride, benzene, 1-chloromethyl-4-nitro, alpha-chloro-p-nitrotoluene, p-chloromethyl nitrobenzene, 4-chloromethyl nitrobenzene, unii-3bld9lvt3x PubChem CID: 7482 ChEBI: CHEBI:87406 IUPAC Name: 1-(chloromethyl)-4-nitrobenzene SMILES: C1=CC(=CC=C1CCl)[N+](=O)[O-]

4-Chlorobenzyl bromide, 98%, ACROS Organics™

CAS: 622-95-7 Molecular Formula: C7H6BrCl Molecular Weight (g/mol): 205.48 MDL Number: MFCD00040714 InChI Key: KQNBRMUBPRGXSL-UHFFFAOYSA-N Synonym: 4-chlorobenzyl bromide, 1-bromomethyl-4-chlorobenzene, p-chlorobenzyl bromide, 4-chlorobenzylbromide, benzene, 1-bromomethyl-4-chloro, alpha-bromo-4-chlorotoluene, 4cbb, p-chlorobenzylbromide, 4-chloro-benzylbromide PubChem CID: 69329 IUPAC Name: 1-(bromomethyl)-4-chlorobenzene SMILES: C1=CC(=CC=C1CBr)Cl

Alfa Aesar™ 3-Fluoro-5-(trifluoromethoxy)benzyl bromide, 97%

CAS: 86256-51-1 Molecular Formula: C8H5BrF4O Molecular Weight (g/mol): 273.025 MDL Number: MFCD18783226 InChI Key: PJLFSUVIEZRQRU-UHFFFAOYSA-N Synonym: 3-fluoro-5-trifluoromethoxy benzyl bromide, 1-bromomethyl-3-fluoro-5-trifluoromethoxy benzene PubChem CID: 15582616 IUPAC Name: 1-(bromomethyl)-3-fluoro-5-(trifluoromethoxy)benzene SMILES: C1=C(C=C(C=C1OC(F)(F)F)F)CBr

Alfa Aesar™ 2,3,5,6-Tetrafluorobenzyl bromide, 98+%

CAS: 53001-73-3 Molecular Formula: C7H3BrF4 Molecular Weight (g/mol): 242.999 MDL Number: MFCD00013549 InChI Key: QHZBSXQCGIQSID-UHFFFAOYSA-N Synonym: 2,3,5,6-tetrafluorobenzyl bromide, 3-bromomethyl-1,2,4,5-tetrafluorobenzene, 2,3,5,6-tetrafluorobenzylbromide, benzene, 3-bromomethyl-1,2,4,5-tetrafluoro, alpha-bromo-2,3,5,6-tetrafluorotoluene, pubchem7361, acmc-1b1z8, benzene,3-bromomethyl-1,2,4,5-tetrafluoro PubChem CID: 104377 IUPAC Name: 3-(bromomethyl)-1,2,4,5-tetrafluorobenzene SMILES: C1=C(C(=C(C(=C1F)F)CBr)F)F

Alfa Aesar™ 3-Bromomethyl-2-fluorobenzeneboronic acid pinacol ester, 96%

CAS: 1256360-37-8 Molecular Formula: C13H17BBrFO2 Molecular Weight (g/mol): 314.989 MDL Number: MFCD17214291 InChI Key: CWASIKJVXVGLKA-UHFFFAOYSA-N Synonym: 2-3-bromomethyl-2-fluorophenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 3-bromomethyl-2-fluorophenylboronic acid pinacol ester, 3-bromomethyl-2-fluorophenylboronic acid, pinacol ester PubChem CID: 53217261 IUPAC Name: 2-[3-(bromomethyl)-2-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(C(=CC=C2)CBr)F

3-(Bromomethyl)phenylboronic acid, 97%, ACROS Organics™

CAS: 51323-43-4 Molecular Formula: C7H8BBrO2 Molecular Weight (g/mol): 214.85 MDL Number: MFCD01632207 InChI Key: ATRFDLFMCLYROQ-UHFFFAOYSA-N Synonym: 3-bromomethylphenylboronic acid, 3-bromomethyl phenylboronic acid, 3-bromomethyl benzeneboronic acid, 3-bromomethyl phenyl boronic acid, 3-bromomethylphenyl boronic acid, m-bromomethyl phenylboronic acid, boronic acid, 3-bromomethyl phenyl, pubchem7782, acmc-1aoze PubChem CID: 2773281 IUPAC Name: [3-(bromomethyl)phenyl]boronic acid SMILES: B(C1=CC(=CC=C1)CBr)(O)O

Alfa Aesar™ 3-(Bromomethyl)benzonitrile, 98%

CAS: 28188-41-2 Molecular Formula: C8H6BrN Molecular Weight (g/mol): 196.047 MDL Number: MFCD00001809 InChI Key: CVKOOKPNCVYHNY-UHFFFAOYSA-N Synonym: 3-bromomethyl benzonitrile, 3-cyanobenzyl bromide, alpha-bromo-m-tolunitrile, m-cyanobenzyl bromide, benzonitrile, 3-bromomethyl, m-bromomethyl benzonitrile, alpha-bromo-m-toluonitrile, m-tolunitrile, .alpha.-bromo, a-bromo-m-tolunitrile, 3-bromomethyl-benzonitrile PubChem CID: 97249 IUPAC Name: 3-(bromomethyl)benzonitrile SMILES: C1=CC(=CC(=C1)CBr)C#N

Alfa Aesar™ 3-Chloro-5-fluoro-4-methoxybenzyl bromide, 97%

CAS: 886497-36-5 Molecular Formula: C8H7BrClFO Molecular Weight (g/mol): 253.495 MDL Number: MFCD04115868 InChI Key: SXXSRVKICKOIEA-UHFFFAOYSA-N Synonym: 3-chloro-5-fluoro-4-methoxybenzyl bromide, 5-bromomethyl-1-chloro-3-fluoro-2-methoxybenzene, 5-bromomethyl-3-chloro-1-fluoro-2-methoxybenzene PubChem CID: 3294781 IUPAC Name: 5-(bromomethyl)-1-chloro-3-fluoro-2-methoxybenzene SMILES: COC1=C(C=C(C=C1Cl)CBr)F

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