Organooxygen compounds
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2-Bromo-1-[4-(trifluoromethyl)phenyl]ethan-1-one, Tech., Thermo Scientific™
CAS: 383-53-9 Molecular Formula: C9H6BrF3O Molecular Weight (g/mol): 267.05 MDL Number: MFCD00126489 InChI Key: HEMROKPXTCOASZ-UHFFFAOYSA-N Synonym: 2-bromo-1-4-trifluoromethyl phenyl ethan-1-one,4-trifluoromethyl phenacyl bromide,2-bromo-4'-trifluoromethyl acetophenone,2-bromo-1-4-trifluoromethyl phenyl ethanone,2-bromo-4'-trifluoromethyl acetophenon,4-trifluoromethylphenacyl bromide,ethanone, 2-bromo-1-4-trifluoromethyl phenyl,4'-trifluoromethyl phenacyl bromide,2-bromo-4'-trifluoromethylacetophenone PubChem CID: 321979 IUPAC Name: 2-bromo-1-[4-(trifluoromethyl)phenyl]ethanone SMILES: FC(F)(F)C1=CC=C(C=C1)C(=O)CBr
| PubChem CID | 321979 |
|---|---|
| CAS | 383-53-9 |
| Molecular Weight (g/mol) | 267.05 |
| MDL Number | MFCD00126489 |
| SMILES | FC(F)(F)C1=CC=C(C=C1)C(=O)CBr |
| Synonym | 2-bromo-1-4-trifluoromethyl phenyl ethan-1-one,4-trifluoromethyl phenacyl bromide,2-bromo-4'-trifluoromethyl acetophenone,2-bromo-1-4-trifluoromethyl phenyl ethanone,2-bromo-4'-trifluoromethyl acetophenon,4-trifluoromethylphenacyl bromide,ethanone, 2-bromo-1-4-trifluoromethyl phenyl,4'-trifluoromethyl phenacyl bromide,2-bromo-4'-trifluoromethylacetophenone |
| IUPAC Name | 2-bromo-1-[4-(trifluoromethyl)phenyl]ethanone |
| InChI Key | HEMROKPXTCOASZ-UHFFFAOYSA-N |
| Molecular Formula | C9H6BrF3O |
1-(1-Benzothiophen-5-yl)-2-bromo-1-ethanone, 97%, Thermo Scientific™
CAS: 1131-87-9 Molecular Formula: C10H7BrOS Molecular Weight (g/mol): 255.13 MDL Number: MFCD07368508 InChI Key: NTQPGUCRHJHYIA-UHFFFAOYSA-N Synonym: 1-1-benzothiophen-5-yl-2-bromo-1-ethanone,1-1-benzothiophen-5-yl-2-bromoethanone,1-benzo b thiophen-5-yl-2-bromoethan-1-one,5-bromoacetylbenzo b thiophene,5-bromoacetyl-benzo b thiophene,5-bromoacetyl benzo b thiophene,ethanone,1-benzo b thien-5-yl-2-bromo,1-benzo b thiophen-5-yl-2-bromoethanone,1-1-benzothiophen-5-yl-2-bromoethan-1-one PubChem CID: 7060546 IUPAC Name: 1-(1-benzothiophen-5-yl)-2-bromoethanone SMILES: BrCC(=O)C1=CC=C2SC=CC2=C1
| PubChem CID | 7060546 |
|---|---|
| CAS | 1131-87-9 |
| Molecular Weight (g/mol) | 255.13 |
| MDL Number | MFCD07368508 |
| SMILES | BrCC(=O)C1=CC=C2SC=CC2=C1 |
| Synonym | 1-1-benzothiophen-5-yl-2-bromo-1-ethanone,1-1-benzothiophen-5-yl-2-bromoethanone,1-benzo b thiophen-5-yl-2-bromoethan-1-one,5-bromoacetylbenzo b thiophene,5-bromoacetyl-benzo b thiophene,5-bromoacetyl benzo b thiophene,ethanone,1-benzo b thien-5-yl-2-bromo,1-benzo b thiophen-5-yl-2-bromoethanone,1-1-benzothiophen-5-yl-2-bromoethan-1-one |
| IUPAC Name | 1-(1-benzothiophen-5-yl)-2-bromoethanone |
| InChI Key | NTQPGUCRHJHYIA-UHFFFAOYSA-N |
| Molecular Formula | C10H7BrOS |
6-Pyrrolidin-1-ylpyridine-2-carbaldehyde, 97%, Thermo Scientific™
CAS: 230618-24-3 Molecular Formula: C10H12N2O Molecular Weight (g/mol): 176.22 MDL Number: MFCD08435859 InChI Key: SZOZYXCTOMKVTL-UHFFFAOYSA-N PubChem CID: 10821162 IUPAC Name: 6-pyrrolidin-1-ylpyridine-2-carbaldehyde SMILES: O=CC1=NC(=CC=C1)N1CCCC1
| PubChem CID | 10821162 |
|---|---|
| CAS | 230618-24-3 |
| Molecular Weight (g/mol) | 176.22 |
| MDL Number | MFCD08435859 |
| SMILES | O=CC1=NC(=CC=C1)N1CCCC1 |
| IUPAC Name | 6-pyrrolidin-1-ylpyridine-2-carbaldehyde |
| InChI Key | SZOZYXCTOMKVTL-UHFFFAOYSA-N |
| Molecular Formula | C10H12N2O |
1-(1-Benzofuran-5-yl)-2-bromo-1-ethanone, ≥97%, Thermo Scientific™
CAS: 844891-02-7 Molecular Formula: C10H7BrO2 Molecular Weight (g/mol): 239.07 MDL Number: MFCD06658969 InChI Key: KRXJQVYCIGDILC-UHFFFAOYSA-N Synonym: 1-1-benzofuran-5-yl-2-bromo-1-ethanone,1-1-benzofuran-5-yl-2-bromoethan-1-one,1-1-benzofuran-5-yl-2-bromoethanone,1-benzofuran-5-yl-2-bromoethanone,5-2-bromoacetyl benzofuran,1-benzo b furan-5-yl-2-bromoethan-1-one,1-1-benzo b furan-5-yl-2-bromo-1-ethanone PubChem CID: 2795178 IUPAC Name: 1-(1-benzofuran-5-yl)-2-bromoethanone SMILES: BrCC(=O)C1=CC=C2OC=CC2=C1
| PubChem CID | 2795178 |
|---|---|
| CAS | 844891-02-7 |
| Molecular Weight (g/mol) | 239.07 |
| MDL Number | MFCD06658969 |
| SMILES | BrCC(=O)C1=CC=C2OC=CC2=C1 |
| Synonym | 1-1-benzofuran-5-yl-2-bromo-1-ethanone,1-1-benzofuran-5-yl-2-bromoethan-1-one,1-1-benzofuran-5-yl-2-bromoethanone,1-benzofuran-5-yl-2-bromoethanone,5-2-bromoacetyl benzofuran,1-benzo b furan-5-yl-2-bromoethan-1-one,1-1-benzo b furan-5-yl-2-bromo-1-ethanone |
| IUPAC Name | 1-(1-benzofuran-5-yl)-2-bromoethanone |
| InChI Key | KRXJQVYCIGDILC-UHFFFAOYSA-N |
| Molecular Formula | C10H7BrO2 |
4-(Dimethoxymethyl)-2-methylpyrimidine, 97%, Thermo Scientific™
CAS: 175277-33-5 Molecular Formula: C8H12N2O2 Molecular Weight (g/mol): 168.20 MDL Number: MFCD00085137 InChI Key: VDXHJWMLYFVGDL-UHFFFAOYSA-N PubChem CID: 2799572 IUPAC Name: 4-(dimethoxymethyl)-2-methylpyrimidine SMILES: COC(OC)C1=CC=NC(C)=N1
| PubChem CID | 2799572 |
|---|---|
| CAS | 175277-33-5 |
| Molecular Weight (g/mol) | 168.20 |
| MDL Number | MFCD00085137 |
| SMILES | COC(OC)C1=CC=NC(C)=N1 |
| IUPAC Name | 4-(dimethoxymethyl)-2-methylpyrimidine |
| InChI Key | VDXHJWMLYFVGDL-UHFFFAOYSA-N |
| Molecular Formula | C8H12N2O2 |
1-Methyl-5-phenyl-1H-pyrazole-4-carbaldehyde, Thermo Scientific™
CAS: 154927-01-2 Molecular Formula: C11H10N2O Molecular Weight (g/mol): 186.214 InChI Key: DLMVCAXLQMJYHP-UHFFFAOYSA-N Synonym: 1-methyl-5-phenyl-1h-pyrazole-4-carbaldehyde,1-methyl-5-phenyl-1h-pyrazole-4-carboxaldehyde,1h-pyrazole-4-carboxaldehyde,1-methyl-5-phenyl PubChem CID: 2795475 IUPAC Name: 1-methyl-5-phenylpyrazole-4-carbaldehyde SMILES: CN1C(=C(C=N1)C=O)C2=CC=CC=C2
| PubChem CID | 2795475 |
|---|---|
| CAS | 154927-01-2 |
| Molecular Weight (g/mol) | 186.214 |
| SMILES | CN1C(=C(C=N1)C=O)C2=CC=CC=C2 |
| Synonym | 1-methyl-5-phenyl-1h-pyrazole-4-carbaldehyde,1-methyl-5-phenyl-1h-pyrazole-4-carboxaldehyde,1h-pyrazole-4-carboxaldehyde,1-methyl-5-phenyl |
| IUPAC Name | 1-methyl-5-phenylpyrazole-4-carbaldehyde |
| InChI Key | DLMVCAXLQMJYHP-UHFFFAOYSA-N |
| Molecular Formula | C11H10N2O |
Chroman-8-carboxylic acid, 97%, Thermo Scientific™
CAS: 31457-16-6 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.187 MDL Number: MFCD12198122 InChI Key: LOFOWPRKKPHPDW-UHFFFAOYSA-N Synonym: chroman-8-carboxylic acid,3,4-dihydro-2h-1-benzopyran-8-carboxylic acid,chromane-8-carboxylic acid PubChem CID: 12701138 IUPAC Name: 3,4-dihydro-2H-chromene-8-carboxylic acid SMILES: C1CC2=CC=CC(=C2OC1)C(=O)O
| PubChem CID | 12701138 |
|---|---|
| CAS | 31457-16-6 |
| Molecular Weight (g/mol) | 178.187 |
| MDL Number | MFCD12198122 |
| SMILES | C1CC2=CC=CC(=C2OC1)C(=O)O |
| Synonym | chroman-8-carboxylic acid,3,4-dihydro-2h-1-benzopyran-8-carboxylic acid,chromane-8-carboxylic acid |
| IUPAC Name | 3,4-dihydro-2H-chromene-8-carboxylic acid |
| InChI Key | LOFOWPRKKPHPDW-UHFFFAOYSA-N |
| Molecular Formula | C10H10O3 |
5-Aminoindan-1-one, 97%, Thermo Scientific™
CAS: 3470-54-0 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 InChI Key: HODOSJNSRPXYBH-UHFFFAOYSA-N Synonym: 5-aminoindan-1-one,5-amino-1-indanone,5-amino-2,3-dihydro-1h-inden-1-one,1h-inden-1-one, 5-amino-2,3-dihydro,5-aminoindanone,5-amino-1-oxoindane,5-amino-indan-1-one,pubchem14476,5-amino-1-indanone #,5-azanyl-2,3-dihydroinden-1-one PubChem CID: 312890 IUPAC Name: 5-amino-2,3-dihydroinden-1-one SMILES: C1CC(=O)C2=C1C=C(C=C2)N
| PubChem CID | 312890 |
|---|---|
| CAS | 3470-54-0 |
| Molecular Weight (g/mol) | 147.177 |
| SMILES | C1CC(=O)C2=C1C=C(C=C2)N |
| Synonym | 5-aminoindan-1-one,5-amino-1-indanone,5-amino-2,3-dihydro-1h-inden-1-one,1h-inden-1-one, 5-amino-2,3-dihydro,5-aminoindanone,5-amino-1-oxoindane,5-amino-indan-1-one,pubchem14476,5-amino-1-indanone #,5-azanyl-2,3-dihydroinden-1-one |
| IUPAC Name | 5-amino-2,3-dihydroinden-1-one |
| InChI Key | HODOSJNSRPXYBH-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO |
4-(3,5-Dimethyl-1H-pyrazol-1-yl)benzaldehyde, 97%, Thermo Scientific™
CAS: 934570-54-4 Molecular Formula: C12H12N2O Molecular Weight (g/mol): 200.24 MDL Number: MFCD06800625 InChI Key: XSNMWJQOHKWNKY-UHFFFAOYSA-N Synonym: 4-3,5-dimethyl-1h-pyrazol-1-yl benzaldehyde,4-3,5-dimethylpyrazol-1-yl benzaldehyde,4-3,5-dimethylpyrazolyl benzaldehyde PubChem CID: 16640533 IUPAC Name: 4-(3,5-dimethyl-1H-pyrazol-1-yl)benzaldehyde SMILES: CC1=NN(C(C)=C1)C1=CC=C(C=O)C=C1
| PubChem CID | 16640533 |
|---|---|
| CAS | 934570-54-4 |
| Molecular Weight (g/mol) | 200.24 |
| MDL Number | MFCD06800625 |
| SMILES | CC1=NN(C(C)=C1)C1=CC=C(C=O)C=C1 |
| Synonym | 4-3,5-dimethyl-1h-pyrazol-1-yl benzaldehyde,4-3,5-dimethylpyrazol-1-yl benzaldehyde,4-3,5-dimethylpyrazolyl benzaldehyde |
| IUPAC Name | 4-(3,5-dimethyl-1H-pyrazol-1-yl)benzaldehyde |
| InChI Key | XSNMWJQOHKWNKY-UHFFFAOYSA-N |
| Molecular Formula | C12H12N2O |
3-Fluoropyridine-2-carboxaldehyde, 97%, Thermo Scientific™
CAS: 31224-43-8 Molecular Formula: C6H4FNO Molecular Weight (g/mol): 125.102 MDL Number: MFCD07781234 InChI Key: OZIMPUNGBUYCSP-UHFFFAOYSA-N Synonym: 3-fluoro-2-formylpyridine,3-fluoropicolinaldehyde,3-fluoro-2-pyridinecarboxaldehyde,3-fluoropyridine-2-carboxaldehyde,3-fluoro-pyridine-2-carbaldehyde,2-pyridinecarboxaldehyde, 3-fluoro,2-formyl-3-fluoropyridine,pubchem5142,acmc-209hkw,3-fluoro-2-formyl-pyridine PubChem CID: 11344017 IUPAC Name: 3-fluoropyridine-2-carbaldehyde SMILES: C1=CC(=C(N=C1)C=O)F
| PubChem CID | 11344017 |
|---|---|
| CAS | 31224-43-8 |
| Molecular Weight (g/mol) | 125.102 |
| MDL Number | MFCD07781234 |
| SMILES | C1=CC(=C(N=C1)C=O)F |
| Synonym | 3-fluoro-2-formylpyridine,3-fluoropicolinaldehyde,3-fluoro-2-pyridinecarboxaldehyde,3-fluoropyridine-2-carboxaldehyde,3-fluoro-pyridine-2-carbaldehyde,2-pyridinecarboxaldehyde, 3-fluoro,2-formyl-3-fluoropyridine,pubchem5142,acmc-209hkw,3-fluoro-2-formyl-pyridine |
| IUPAC Name | 3-fluoropyridine-2-carbaldehyde |
| InChI Key | OZIMPUNGBUYCSP-UHFFFAOYSA-N |
| Molecular Formula | C6H4FNO |
3-(1-Methyl-1H-pyrazol-3-yl)benzaldehyde, 90%, Thermo Scientific™
CAS: 179056-79-2 Molecular Formula: C11H10N2O Molecular Weight (g/mol): 186.21 MDL Number: MFCD08669912 InChI Key: SSAPUQDWKCUIAR-UHFFFAOYSA-N PubChem CID: 10511755 IUPAC Name: 3-(1-methylpyrazol-3-yl)benzaldehyde SMILES: CN1C=CC(=N1)C1=CC(C=O)=CC=C1
| PubChem CID | 10511755 |
|---|---|
| CAS | 179056-79-2 |
| Molecular Weight (g/mol) | 186.21 |
| MDL Number | MFCD08669912 |
| SMILES | CN1C=CC(=N1)C1=CC(C=O)=CC=C1 |
| IUPAC Name | 3-(1-methylpyrazol-3-yl)benzaldehyde |
| InChI Key | SSAPUQDWKCUIAR-UHFFFAOYSA-N |
| Molecular Formula | C11H10N2O |
Ethyl 2-(3,4-dichlorophenyl)-2-oxoacetate, Technical, Thermo Scientific™
CAS: 34966-52-4 Molecular Formula: C10H8Cl2O3 Molecular Weight (g/mol): 247.07 MDL Number: MFCD01934864 InChI Key: NWUGRKGSCYOUFF-UHFFFAOYSA-N Synonym: ethyl 3,4-dichlorophenylglyoxylate,ethyl 3,4-dichlorobenzoylformate,ethyl 2-3,4-dichlorophenyl-2-oxoacetate,3,4-dichlorophenyl glyoxylic acid ethyl ester,ksc495i0f,ethyl 3,4-dichlorophenyl oxo acetate,ethyl 2-3,4-dichlorophenyl-2-oxoethanoate,3,4-dichlorophenyl oxoacetic acid ethyl ester,3,4-dichloro-oxo-benzeneacetic acid ethyl ester,3,4-dichloro-phenyl-oxo-acetic acid ethyl ester PubChem CID: 2736412 IUPAC Name: ethyl 2-(3,4-dichlorophenyl)-2-oxoacetate SMILES: CCOC(=O)C(=O)C1=CC(Cl)=C(Cl)C=C1
| PubChem CID | 2736412 |
|---|---|
| CAS | 34966-52-4 |
| Molecular Weight (g/mol) | 247.07 |
| MDL Number | MFCD01934864 |
| SMILES | CCOC(=O)C(=O)C1=CC(Cl)=C(Cl)C=C1 |
| Synonym | ethyl 3,4-dichlorophenylglyoxylate,ethyl 3,4-dichlorobenzoylformate,ethyl 2-3,4-dichlorophenyl-2-oxoacetate,3,4-dichlorophenyl glyoxylic acid ethyl ester,ksc495i0f,ethyl 3,4-dichlorophenyl oxo acetate,ethyl 2-3,4-dichlorophenyl-2-oxoethanoate,3,4-dichlorophenyl oxoacetic acid ethyl ester,3,4-dichloro-oxo-benzeneacetic acid ethyl ester,3,4-dichloro-phenyl-oxo-acetic acid ethyl ester |
| IUPAC Name | ethyl 2-(3,4-dichlorophenyl)-2-oxoacetate |
| InChI Key | NWUGRKGSCYOUFF-UHFFFAOYSA-N |
| Molecular Formula | C10H8Cl2O3 |
2-Pyrrolidin-1-ylisonicotinaldehyde, 97%, Thermo Scientific™
CAS: 898289-23-1 Molecular Formula: C10H12N2O Molecular Weight (g/mol): 176.219 MDL Number: MFCD08690286 InChI Key: QPKFMHRNVDJMLZ-UHFFFAOYSA-N Synonym: 2-pyrrolidin-1-ylisonicotinaldehyde,2-pyrrolidin-1-yl isonicotinaldehyde,2-pyrrolidin-1-yl pyridine-4-carbaldehyde,2-pyrrolidin-1-yl pyridine-4-carboxaldehyde,4-pyridinecarboxaldehyde,2-1-pyrrolidinyl,2-pyrrolidinylpyridine-4-carbaldehyde,2-pyrrolidin-1-yl-isonicotinaldehyde,4-pyridinecarboxaldehyde, 2-1-pyrrolidinyl PubChem CID: 18525845 IUPAC Name: 2-pyrrolidin-1-ylpyridine-4-carbaldehyde SMILES: C1CCN(C1)C2=NC=CC(=C2)C=O
| PubChem CID | 18525845 |
|---|---|
| CAS | 898289-23-1 |
| Molecular Weight (g/mol) | 176.219 |
| MDL Number | MFCD08690286 |
| SMILES | C1CCN(C1)C2=NC=CC(=C2)C=O |
| Synonym | 2-pyrrolidin-1-ylisonicotinaldehyde,2-pyrrolidin-1-yl isonicotinaldehyde,2-pyrrolidin-1-yl pyridine-4-carbaldehyde,2-pyrrolidin-1-yl pyridine-4-carboxaldehyde,4-pyridinecarboxaldehyde,2-1-pyrrolidinyl,2-pyrrolidinylpyridine-4-carbaldehyde,2-pyrrolidin-1-yl-isonicotinaldehyde,4-pyridinecarboxaldehyde, 2-1-pyrrolidinyl |
| IUPAC Name | 2-pyrrolidin-1-ylpyridine-4-carbaldehyde |
| InChI Key | QPKFMHRNVDJMLZ-UHFFFAOYSA-N |
| Molecular Formula | C10H12N2O |