Nitrobenzoic acids and derivatives

Organic compounds that consist of benzoic acid with a nitro group substitution; a nitro group has a nitrogen atom bonded to two oxygen groups in a single and a double bond. Includes compounds that are directly derived from nitrobenzoic acid.

1 – 15 of 182 results

3-Nitrobenzoic acid, 99%

CAS: 121-92-6 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007251 InChI Key: AFPHTEQTJZKQAQ-UHFFFAOYSA-N Synonym: 3-nitrobenzoic acid,m-nitrobenzoic acid,benzoic acid, 3-nitro,benzoic acid, m-nitro,meta-nitrobenzoic acid,metanitrobenzoic acid,m-nitrobenzenecarboxylic acid,3-nitro-benzoic acid,ccris 2335,nitrobenzoic 3-acid PubChem CID: 8497 SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O

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Specifications

PubChem CID	8497
CAS	121-92-6
Molecular Weight (g/mol)	167.12
MDL Number	MFCD00007251
SMILES	C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O
Synonym	3-nitrobenzoic acid,m-nitrobenzoic acid,benzoic acid, 3-nitro,benzoic acid, m-nitro,meta-nitrobenzoic acid,metanitrobenzoic acid,m-nitrobenzenecarboxylic acid,3-nitro-benzoic acid,ccris 2335,nitrobenzoic 3-acid
InChI Key	AFPHTEQTJZKQAQ-UHFFFAOYSA-N
Molecular Formula	C7H5NO4

5,5'-Dithiobis(2-nitrobenzoic acid), 99%

CAS: 69-78-3 Molecular Formula: C14H8N2O8S2 Molecular Weight (g/mol): 396.34 MDL Number: MFCD00007140 InChI Key: KIUMMUBSPKGMOY-UHFFFAOYSA-N Synonym: dtnb,5,5'-dithiobis 2-nitrobenzoic acid,ellman's reagent,3-carboxy-4-nitrophenyl disulfide,dithionitrobenzoic acid,dithiobisnitrobenzoic acid,5,5'-disulfanediylbis 2-nitrobenzoic acid,benzoic acid, 3,3'-dithiobis 6-nitro,3,3'-dithiobis 6-nitrobenzoic acid,5,5'-dithio-bis 2-nitrobenzoic acid PubChem CID: 6254 ChEBI: CHEBI:86228 IUPAC Name: 5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid SMILES: OC(=O)C1=CC(SSC2=CC=C(C(=C2)C(O)=O)[N+]([O-])=O)=CC=C1[N+]([O-])=O

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Specifications

PubChem CID	6254
CAS	69-78-3
Molecular Weight (g/mol)	396.34
ChEBI	CHEBI:86228
MDL Number	MFCD00007140
SMILES	OC(=O)C1=CC(SSC2=CC=C(C(=C2)C(O)=O)[N+]([O-])=O)=CC=C1[N+]([O-])=O
Synonym	dtnb,5,5'-dithiobis 2-nitrobenzoic acid,ellman's reagent,3-carboxy-4-nitrophenyl disulfide,dithionitrobenzoic acid,dithiobisnitrobenzoic acid,5,5'-disulfanediylbis 2-nitrobenzoic acid,benzoic acid, 3,3'-dithiobis 6-nitro,3,3'-dithiobis 6-nitrobenzoic acid,5,5'-dithio-bis 2-nitrobenzoic acid
IUPAC Name	5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid
InChI Key	KIUMMUBSPKGMOY-UHFFFAOYSA-N
Molecular Formula	C14H8N2O8S2

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4-Nitrobenzoic acid, 99+%

CAS: 62-23-7 Molecular Formula: C₇H₅NO₄ Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007352 InChI Key: OTLNPYWUJOZPPA-UHFFFAOYSA-N Synonym: 4-nitrobenzoic acid,p-nitrobenzoic acid,benzoic acid, 4-nitro,nitrodracylic acid,4-nitrodracylic acid,1-carboxy-4-nitrobenzene,benzoic acid, p-nitro,p-nitrobenzoicacid,p-nitrobenzenecarboxylic acid,kyselina p-nitrobenzoova PubChem CID: 6108 ChEBI: CHEBI:262350 SMILES: C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]

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Specifications

PubChem CID	6108
CAS	62-23-7
Molecular Weight (g/mol)	167.12
ChEBI	CHEBI:262350
MDL Number	MFCD00007352
SMILES	C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]
Synonym	4-nitrobenzoic acid,p-nitrobenzoic acid,benzoic acid, 4-nitro,nitrodracylic acid,4-nitrodracylic acid,1-carboxy-4-nitrobenzene,benzoic acid, p-nitro,p-nitrobenzoicacid,p-nitrobenzenecarboxylic acid,kyselina p-nitrobenzoova
InChI Key	OTLNPYWUJOZPPA-UHFFFAOYSA-N
Molecular Formula	C₇H₅NO₄

Ethyl 4-nitrobenzoate, 99%

CAS: 99-77-4 Molecular Formula: C₉H₉NO₄ Molecular Weight (g/mol): 195.17 MDL Number: MFCD00007351 InChI Key: PHWSCBWNPZDYRI-UHFFFAOYSA-N Synonym: ethyl p-nitrobenzoate,benzoic acid, 4-nitro-, ethyl ester,4-nitrobenzoic acid ethyl ester,ethyl nitrobenzoate, para ester,p-nitrobenzoic acid, ethyl ester,4-ethoxycarbonyl nitrobenzene,benzoic acid, p-nitro-, ethyl ester,ethyl-p-nitrobenzoate,unii-1och6y8nar,ethyl para-nitrobenzoate PubChem CID: 7457 IUPAC Name: ethyl 4-nitrobenzoate SMILES: CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

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Specifications

PubChem CID	7457
CAS	99-77-4
Molecular Weight (g/mol)	195.17
MDL Number	MFCD00007351
SMILES	CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
Synonym	ethyl p-nitrobenzoate,benzoic acid, 4-nitro-, ethyl ester,4-nitrobenzoic acid ethyl ester,ethyl nitrobenzoate, para ester,p-nitrobenzoic acid, ethyl ester,4-ethoxycarbonyl nitrobenzene,benzoic acid, p-nitro-, ethyl ester,ethyl-p-nitrobenzoate,unii-1och6y8nar,ethyl para-nitrobenzoate
IUPAC Name	ethyl 4-nitrobenzoate
InChI Key	PHWSCBWNPZDYRI-UHFFFAOYSA-N
Molecular Formula	C₉H₉NO₄

5-Nitrosalicylic acid, 99%

CAS: 96-97-9 Molecular Formula: C₇H₅NO₅ Molecular Weight (g/mol): 183.12 MDL Number: MFCD00007338 InChI Key: PPDRLQLKHRZIJC-UHFFFAOYSA-N Synonym: 5-nitrosalicylic acid,2-hydroxy-5-nitrobenzoic acid,anilotic acid,benzoic acid, 2-hydroxy-5-nitro,5-nitro-2-hydroxybenzoic acid,unii-82l9g7fyz3,2-hydroxy-5-nitro-benzoic acid,5-nitro-salicylic acid,salicylic acid, 5-nitro,5-nitro salicylic acid PubChem CID: 7318 ChEBI: CHEBI:61281 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)O

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Specifications

PubChem CID	7318
CAS	96-97-9
Molecular Weight (g/mol)	183.12
ChEBI	CHEBI:61281
MDL Number	MFCD00007338
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)O
Synonym	5-nitrosalicylic acid,2-hydroxy-5-nitrobenzoic acid,anilotic acid,benzoic acid, 2-hydroxy-5-nitro,5-nitro-2-hydroxybenzoic acid,unii-82l9g7fyz3,2-hydroxy-5-nitro-benzoic acid,5-nitro-salicylic acid,salicylic acid, 5-nitro,5-nitro salicylic acid
InChI Key	PPDRLQLKHRZIJC-UHFFFAOYSA-N
Molecular Formula	C₇H₅NO₅

3-Methyl-4-nitrobenzoic acid, 99%

CAS: 3113-71-1 Molecular Formula: C₈H₇NO₄ Molecular Weight (g/mol): 181.15 MDL Number: MFCD00007168 InChI Key: XDTTUTIFWDAMIX-UHFFFAOYSA-N PubChem CID: 18370 SMILES: CC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-]

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Specifications

PubChem CID	18370
CAS	3113-71-1
Molecular Weight (g/mol)	181.15
MDL Number	MFCD00007168
SMILES	CC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-]
InChI Key	XDTTUTIFWDAMIX-UHFFFAOYSA-N
Molecular Formula	C₈H₇NO₄

3-Carboxy-5-nitrobenzeneboronic acid, 97%

CAS: 101084-81-5 Molecular Formula: C7H6BNO6 Molecular Weight (g/mol): 210.936 MDL Number: MFCD00757433 InChI Key: WNIFCLWDGNHGMX-UHFFFAOYSA-N Synonym: 3-carboxy-5-nitrophenylboronic acid,3-nitro-5-carboxyphenylboronic acid,5-nitro-3-carboxyphenylboronic acid,3-carboxy-5-nitrophenyl boronic acid,3-carboxy-5-nitrobenzeneboronic acid,benzoic acid, 3-borono-5-nitro,3-dihydroxyboryl-5-nitrobenzoic acid,3-dihydroxyboranyl-5-nitrobenzoic acid,3-borono-5-nitro-benzoic acid,pubchem5139 PubChem CID: 2773315 IUPAC Name: 3-borono-5-nitrobenzoic acid SMILES: B(C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O)(O)O

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Specifications

PubChem CID	2773315
CAS	101084-81-5
Molecular Weight (g/mol)	210.936
MDL Number	MFCD00757433
SMILES	B(C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O)(O)O
Synonym	3-carboxy-5-nitrophenylboronic acid,3-nitro-5-carboxyphenylboronic acid,5-nitro-3-carboxyphenylboronic acid,3-carboxy-5-nitrophenyl boronic acid,3-carboxy-5-nitrobenzeneboronic acid,benzoic acid, 3-borono-5-nitro,3-dihydroxyboryl-5-nitrobenzoic acid,3-dihydroxyboranyl-5-nitrobenzoic acid,3-borono-5-nitro-benzoic acid,pubchem5139
IUPAC Name	3-borono-5-nitrobenzoic acid
InChI Key	WNIFCLWDGNHGMX-UHFFFAOYSA-N
Molecular Formula	C7H6BNO6

Methyl 3-hydroxy-4-nitrobenzoate, 98%

CAS: 713-52-0 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.146 MDL Number: MFCD00016997 InChI Key: UEGCRFNWTGYVKX-UHFFFAOYSA-N Synonym: benzoic acid, 3-hydroxy-4-nitro-, methyl ester,3-hydroxy-4-nitrobenzoic acid methyl ester,3-hydroxy-4-nitro-benzoic acid methyl ester,methyl 3-hydroxy-4-nitro-benzoate,methyl3-hydroxy-4-nitrobenzoate,pubchem20121,acmc-209oia,ksc379e5n,5-methoxycarbonyl-2-nitrophenol,methyl3-hydroxy-4-nitronemzoate PubChem CID: 294866 IUPAC Name: methyl 3-hydroxy-4-nitrobenzoate SMILES: COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])O

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Specifications

PubChem CID	294866
CAS	713-52-0
Molecular Weight (g/mol)	197.146
MDL Number	MFCD00016997
SMILES	COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])O
Synonym	benzoic acid, 3-hydroxy-4-nitro-, methyl ester,3-hydroxy-4-nitrobenzoic acid methyl ester,3-hydroxy-4-nitro-benzoic acid methyl ester,methyl 3-hydroxy-4-nitro-benzoate,methyl3-hydroxy-4-nitrobenzoate,pubchem20121,acmc-209oia,ksc379e5n,5-methoxycarbonyl-2-nitrophenol,methyl3-hydroxy-4-nitronemzoate
IUPAC Name	methyl 3-hydroxy-4-nitrobenzoate
InChI Key	UEGCRFNWTGYVKX-UHFFFAOYSA-N
Molecular Formula	C8H7NO5

2-Chloro-3-nitrobenzoic acid, 98%

CAS: 3970-35-2 Molecular Formula: C₇H₄ClNO₄ Molecular Weight (g/mol): 201.57 MDL Number: MFCD00007069 InChI Key: JRQDVRIQJJPHEQ-UHFFFAOYSA-N Synonym: 2-chloro-3-nitrobenzoic acid,2-chloro-3-nitro-benzoic acid,2-chloro-3-nitrobenzoicacid,benzoic acid, 2-chloro-3-nitro,2-chloro-3-carboxynitrobenzene,nitrochlorbenzoesaure,pubchem2100,acmc-1ctvl,2-chloro-3-nitrobenzic acid,2-chloro-3-nitrobezoic acid PubChem CID: 19870 SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)C(=O)O

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Specifications

PubChem CID	19870
CAS	3970-35-2
Molecular Weight (g/mol)	201.57
MDL Number	MFCD00007069
SMILES	C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)C(=O)O
Synonym	2-chloro-3-nitrobenzoic acid,2-chloro-3-nitro-benzoic acid,2-chloro-3-nitrobenzoicacid,benzoic acid, 2-chloro-3-nitro,2-chloro-3-carboxynitrobenzene,nitrochlorbenzoesaure,pubchem2100,acmc-1ctvl,2-chloro-3-nitrobenzic acid,2-chloro-3-nitrobezoic acid
InChI Key	JRQDVRIQJJPHEQ-UHFFFAOYSA-N
Molecular Formula	C₇H₄ClNO₄

Methyl 4-fluoro-3-nitrobenzoate, 98%

CAS: 329-59-9 Molecular Formula: C8H6FNO4 Molecular Weight (g/mol): 199.14 MDL Number: MFCD00196161 InChI Key: CNJJSTPBUHAEFH-UHFFFAOYSA-N Synonym: methyl 4-fluoro-3-nitro-benzoate,4-fluoro-3-nitrobenzoic acid methyl ester,4-fluoro-3-nitro-benzoic acid methyl ester,benzoic acid, 4-fluoro-3-nitro-, methyl ester,pubchem2045,acmc-209hxf,methyl 4-fluoro-3 nitrobenzoate,4-carbomethoxy-2-nitrofluorobenzene,methyl4-fluoro-3-nitrobenzoate PubChem CID: 5219721 IUPAC Name: methyl 4-fluoro-3-nitrobenzoate SMILES: COC(=O)C1=CC(=C(F)C=C1)[N+]([O-])=O

Pricing and Availability
Specifications

PubChem CID	5219721
CAS	329-59-9
Molecular Weight (g/mol)	199.14
MDL Number	MFCD00196161
SMILES	COC(=O)C1=CC(=C(F)C=C1)[N+]([O-])=O
Synonym	methyl 4-fluoro-3-nitro-benzoate,4-fluoro-3-nitrobenzoic acid methyl ester,4-fluoro-3-nitro-benzoic acid methyl ester,benzoic acid, 4-fluoro-3-nitro-, methyl ester,pubchem2045,acmc-209hxf,methyl 4-fluoro-3 nitrobenzoate,4-carbomethoxy-2-nitrofluorobenzene,methyl4-fluoro-3-nitrobenzoate
IUPAC Name	methyl 4-fluoro-3-nitrobenzoate
InChI Key	CNJJSTPBUHAEFH-UHFFFAOYSA-N
Molecular Formula	C8H6FNO4

3-Nitrophthalic acid, 95%

CAS: 603-11-2 Molecular Formula: C8H5NO6 Molecular Weight (g/mol): 211.129 MDL Number: MFCD00007138 InChI Key: KFIRODWJCYBBHY-UHFFFAOYSA-N Synonym: 3-nitrophthalic acid,3-nitrobenzene-1,2-dicarboxylic acid,phthalic acid, 3-nitro,1,2-benzenedicarboxylic acid, 3-nitro,3-nitro phthalic acid,3-nitro-phthalic acid,3-nitrophthalicacid,nitrophthalic acid,3-nitrophtalic acid,m-nitrophthalic acid PubChem CID: 69043 SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)C(=O)O

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Specifications

PubChem CID	69043
CAS	603-11-2
Molecular Weight (g/mol)	211.129
MDL Number	MFCD00007138
SMILES	C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)C(=O)O
Synonym	3-nitrophthalic acid,3-nitrobenzene-1,2-dicarboxylic acid,phthalic acid, 3-nitro,1,2-benzenedicarboxylic acid, 3-nitro,3-nitro phthalic acid,3-nitro-phthalic acid,3-nitrophthalicacid,nitrophthalic acid,3-nitrophtalic acid,m-nitrophthalic acid
InChI Key	KFIRODWJCYBBHY-UHFFFAOYSA-N
Molecular Formula	C8H5NO6

3,5-Dinitrobenzoic acid, 98+%

CAS: 99-34-3 Molecular Formula: C7H4N2O6 Molecular Weight (g/mol): 212.12 MDL Number: MFCD00007253 InChI Key: VYWYYJYRVSBHJQ-UHFFFAOYSA-N Synonym: 3,5-dinitrobenzoic acid,dinitrobenzoic acid,dnba,benzoic acid, 3,5-dinitro,3-carboxy-1,5-dinitrobenzene,3,5-dinitro-benzoic acid,unii-4v3f9q018p,ccris 3129,3,5-dnba,3,5-dinitrobenzenecarboxylic acid PubChem CID: 7433 ChEBI: CHEBI:73914 IUPAC Name: 3,5-dinitrobenzoic acid SMILES: OC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O

Pricing and Availability
Specifications

PubChem CID	7433
CAS	99-34-3
Molecular Weight (g/mol)	212.12
ChEBI	CHEBI:73914
MDL Number	MFCD00007253
SMILES	OC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O
Synonym	3,5-dinitrobenzoic acid,dinitrobenzoic acid,dnba,benzoic acid, 3,5-dinitro,3-carboxy-1,5-dinitrobenzene,3,5-dinitro-benzoic acid,unii-4v3f9q018p,ccris 3129,3,5-dnba,3,5-dinitrobenzenecarboxylic acid
IUPAC Name	3,5-dinitrobenzoic acid
InChI Key	VYWYYJYRVSBHJQ-UHFFFAOYSA-N
Molecular Formula	C7H4N2O6

Nitroterephthalic acid, 99+%

CAS: 610-29-7 Molecular Formula: C₈H₅NO₆ Molecular Weight (g/mol): 211.13 MDL Number: MFCD00007141 InChI Key: QUMITRDILMWWBC-UHFFFAOYSA-N Synonym: nitroterephthalic acid,2-nitroterephthalic acid,2-nitrobenzene-1,4-dicarboxylic acid,1,4-benzenedicarboxylic acid, 2-nitro,terephthalic acid, nitro,2-nitroterephthalicacid,2-nitroterephthalate,5-nitroterephthalic acid,acmc-1au2u PubChem CID: 69122 SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O

Pricing and Availability
Specifications

PubChem CID	69122
CAS	610-29-7
Molecular Weight (g/mol)	211.13
MDL Number	MFCD00007141
SMILES	C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O
Synonym	nitroterephthalic acid,2-nitroterephthalic acid,2-nitrobenzene-1,4-dicarboxylic acid,1,4-benzenedicarboxylic acid, 2-nitro,terephthalic acid, nitro,2-nitroterephthalicacid,2-nitroterephthalate,5-nitroterephthalic acid,acmc-1au2u
InChI Key	QUMITRDILMWWBC-UHFFFAOYSA-N
Molecular Formula	C₈H₅NO₆

3-Bromo-4-nitrobenzoic acid, 97%

CAS: 101420-81-9 Molecular Formula: C7H4BrNO4 Molecular Weight (g/mol): 246.02 MDL Number: MFCD04117949 InChI Key: KKPPNEJUUOQRLE-UHFFFAOYSA-N Synonym: 3-bromo-4-nitrobenzoic acid,3-bromo-4-nitrobenzoicacid,benzoic acid,3-bromo-4-nitro,benzoic acid, 3-bromo-4-nitro,3-bromo-4-nitrobenzoic acid 97,pubchem16301,acmc-209x3e,4-nitro-3-bromobenzoic acid,3-bromo-4-nitro-benzoic acid PubChem CID: 16218087 IUPAC Name: 3-bromo-4-nitrobenzoic acid SMILES: OC(=O)C1=CC(Br)=C(C=C1)[N+]([O-])=O

Pricing and Availability
Specifications

PubChem CID	16218087
CAS	101420-81-9
Molecular Weight (g/mol)	246.02
MDL Number	MFCD04117949
SMILES	OC(=O)C1=CC(Br)=C(C=C1)[N+]([O-])=O
Synonym	3-bromo-4-nitrobenzoic acid,3-bromo-4-nitrobenzoicacid,benzoic acid,3-bromo-4-nitro,benzoic acid, 3-bromo-4-nitro,3-bromo-4-nitrobenzoic acid 97,pubchem16301,acmc-209x3e,4-nitro-3-bromobenzoic acid,3-bromo-4-nitro-benzoic acid
IUPAC Name	3-bromo-4-nitrobenzoic acid
InChI Key	KKPPNEJUUOQRLE-UHFFFAOYSA-N
Molecular Formula	C7H4BrNO4

Methyl 2-hydroxy-3-nitrobenzoate, 98%

CAS: 22621-41-6 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.146 MDL Number: MFCD00272263 InChI Key: NIBVYEHAFBEVFI-UHFFFAOYSA-N Synonym: methyl 2-hydroxy-3-nitrobenzoate,methyl 3-nitrosalicylate,benzoic acid, 2-hydroxy-3-nitro-, methyl ester,2-hydroxy-3-nitrobenzoic acid methyl ester,2-hydroxy-3-nitro-benzoic acid methyl ester,salicylic acid, 3-nitro-, methyl ester,methyl-3-nitrosalicylat,methyl-m-nitrosalicylate,acmc-209fxo,ksc490c4l PubChem CID: 596904 SMILES: COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])O

Pricing and Availability
Specifications

PubChem CID	596904
CAS	22621-41-6
Molecular Weight (g/mol)	197.146
MDL Number	MFCD00272263
SMILES	COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])O
Synonym	methyl 2-hydroxy-3-nitrobenzoate,methyl 3-nitrosalicylate,benzoic acid, 2-hydroxy-3-nitro-, methyl ester,2-hydroxy-3-nitrobenzoic acid methyl ester,2-hydroxy-3-nitro-benzoic acid methyl ester,salicylic acid, 3-nitro-, methyl ester,methyl-3-nitrosalicylat,methyl-m-nitrosalicylate,acmc-209fxo,ksc490c4l
InChI Key	NIBVYEHAFBEVFI-UHFFFAOYSA-N
Molecular Formula	C8H7NO5

Nitrobenzoic acids and derivatives

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