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.

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136 – 150 of 1,063 results

136

Methyl 2-(tert-Butoxycarbonylamino)-3-nitrobenzoate 98.0+%, TCI America™

CAS: 57113-90-3 Molecular Formula: C13H16N2O6 Molecular Weight (g/mol): 296.279 MDL Number: MFCD06797690 InChI Key: VEDIIGMQOAWKGH-UHFFFAOYSA-N Synonym: 2-(tert-Butoxycarbonylamino)-3-nitrobenzoic Acid Methyl Ester, Methyl 2-(Boc-amino)-3-nitrobenzoate, 2-(Boc-amino)-3-nitrobenzoic Acid Methyl Ester PubChem CID: 9965968 IUPAC Name: methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitrobenzoate SMILES: CC(C)(C)OC(=O)NC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC

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Specifications

PubChem CID	9965968
CAS	57113-90-3
Molecular Weight (g/mol)	296.279
MDL Number	MFCD06797690
SMILES	CC(C)(C)OC(=O)NC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC
Synonym	2-(tert-Butoxycarbonylamino)-3-nitrobenzoic Acid Methyl Ester, Methyl 2-(Boc-amino)-3-nitrobenzoate, 2-(Boc-amino)-3-nitrobenzoic Acid Methyl Ester
IUPAC Name	methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitrobenzoate
InChI Key	VEDIIGMQOAWKGH-UHFFFAOYSA-N
Molecular Formula	C13H16N2O6

137

3-Nitrobenzoic Acid 99.0+%, TCI America™

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

138

3-Hydroxy-2-nitrobenzoic Acid 98.0+%, TCI America™

CAS: 602-00-6 Molecular Formula: C7H5NO5 Molecular Weight (g/mol): 183.119 MDL Number: MFCD00017003 InChI Key: KPDBKQKRDJPBRM-UHFFFAOYSA-N Synonym: 3-hydroxy-2-nitrobenzoic acid,3-hydroxy-2-nitrobenzoicacid,3-hydroxy-2-nitro-benzoic acid,2-nitro-3-hydroxybenzoic acid,pubchem8846,nitro-m-oxybenzoesaure,benzoic acid, hydroxynitro,ksc288q8j,acmc-1b214,2-nitro-3-oxidanyl-benzoic acid PubChem CID: 293291 SMILES: C1=CC(=C(C(=C1)O)[N+](=O)[O-])C(=O)O

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Specifications

PubChem CID	293291
CAS	602-00-6
Molecular Weight (g/mol)	183.119
MDL Number	MFCD00017003
SMILES	C1=CC(=C(C(=C1)O)[N+](=O)[O-])C(=O)O
Synonym	3-hydroxy-2-nitrobenzoic acid,3-hydroxy-2-nitrobenzoicacid,3-hydroxy-2-nitro-benzoic acid,2-nitro-3-hydroxybenzoic acid,pubchem8846,nitro-m-oxybenzoesaure,benzoic acid, hydroxynitro,ksc288q8j,acmc-1b214,2-nitro-3-oxidanyl-benzoic acid
InChI Key	KPDBKQKRDJPBRM-UHFFFAOYSA-N
Molecular Formula	C7H5NO5

139

Methyl 3-Hydroxy-4-nitrobenzoate 98.0+%, TCI America™

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

140

Methyl 5-Bromo-2-methyl-3-nitrobenzoate 98.0+%, TCI America™

CAS: 220514-28-3 Molecular Formula: C9H8BrNO4 Molecular Weight (g/mol): 274.07 MDL Number: MFCD07781280 InChI Key: UPBDNPCJIJAMPI-UHFFFAOYSA-N Synonym: 5-Bromo-2-methyl-3-nitrobenzoic Acid Methyl Ester PubChem CID: 24727998 IUPAC Name: methyl 5-bromo-2-methyl-3-nitrobenzoate SMILES: COC(=O)C1=CC(Br)=CC(=C1C)[N+]([O-])=O

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Specifications

PubChem CID	24727998
CAS	220514-28-3
Molecular Weight (g/mol)	274.07
MDL Number	MFCD07781280
SMILES	COC(=O)C1=CC(Br)=CC(=C1C)[N+]([O-])=O
Synonym	5-Bromo-2-methyl-3-nitrobenzoic Acid Methyl Ester
IUPAC Name	methyl 5-bromo-2-methyl-3-nitrobenzoate
InChI Key	UPBDNPCJIJAMPI-UHFFFAOYSA-N
Molecular Formula	C9H8BrNO4

141

Methyl 2-Hydroxy-3-nitrobenzoate 98.0+%, TCI America™

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

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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

142

Methyl 2-(Bromomethyl)-3-nitrobenzoate 98.0+%, TCI America™

CAS: 98475-07-1 Molecular Formula: C9H8BrNO4 Molecular Weight (g/mol): 274.07 MDL Number: MFCD04114315 InChI Key: FCGIVHSBEKGQMZ-UHFFFAOYSA-N Synonym: methyl 2-bromomethyl-3-nitrobenzoate,2-bromomethyl-3-nitrobenzoic acid methyl ester,methyl 2-bromomethyl-3-nitro-benzoate,benzoic acid, 2-bromomethyl-3-nitro-, methyl ester,methyl 2-bromomethyl-3-nitrobenzenecarboxylate,2-bromomethyl-3-nitro benzoic acid methyl ester,methyl2-bromomethyl-3-nitrobenzoate,zlchem 474,pubchem19169 PubChem CID: 1487795 IUPAC Name: methyl 2-(bromomethyl)-3-nitrobenzoate SMILES: COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])CBr

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Specifications

PubChem CID	1487795
CAS	98475-07-1
Molecular Weight (g/mol)	274.07
MDL Number	MFCD04114315
SMILES	COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])CBr
Synonym	methyl 2-bromomethyl-3-nitrobenzoate,2-bromomethyl-3-nitrobenzoic acid methyl ester,methyl 2-bromomethyl-3-nitro-benzoate,benzoic acid, 2-bromomethyl-3-nitro-, methyl ester,methyl 2-bromomethyl-3-nitrobenzenecarboxylate,2-bromomethyl-3-nitro benzoic acid methyl ester,methyl2-bromomethyl-3-nitrobenzoate,zlchem 474,pubchem19169
IUPAC Name	methyl 2-(bromomethyl)-3-nitrobenzoate
InChI Key	FCGIVHSBEKGQMZ-UHFFFAOYSA-N
Molecular Formula	C9H8BrNO4

143

3-Hydroxy-4-nitrobenzoic Acid 96.0+%, TCI America™

CAS: 619-14-7 Molecular Formula: C7H5NO5 Molecular Weight (g/mol): 183.12 MDL Number: MFCD00007110 InChI Key: XLDLRRGZWIEEHT-UHFFFAOYSA-N Synonym: 3-hydroxy-4-nitrobenzoic acid,3-hydroxy-4-nitro-benzoic acid,4-nitro-3-hydroxybenzoic acid,benzoic acid, 3-hydroxy-4-nitro,3-hydroxy-4-nitrobenzoicacid,pubchem17135,acmc-209mxi,3-hydroxy4nitrobenzoic acid,ksc356q8j,3-hydroxy-4-nitro benzoic acid PubChem CID: 69265 IUPAC Name: 3-hydroxy-4-nitrobenzoic acid SMILES: OC(=O)C1=CC=C(C(O)=C1)[N+]([O-])=O

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Specifications

PubChem CID	69265
CAS	619-14-7
Molecular Weight (g/mol)	183.12
MDL Number	MFCD00007110
SMILES	OC(=O)C1=CC=C(C(O)=C1)[N+]([O-])=O
Synonym	3-hydroxy-4-nitrobenzoic acid,3-hydroxy-4-nitro-benzoic acid,4-nitro-3-hydroxybenzoic acid,benzoic acid, 3-hydroxy-4-nitro,3-hydroxy-4-nitrobenzoicacid,pubchem17135,acmc-209mxi,3-hydroxy4nitrobenzoic acid,ksc356q8j,3-hydroxy-4-nitro benzoic acid
IUPAC Name	3-hydroxy-4-nitrobenzoic acid
InChI Key	XLDLRRGZWIEEHT-UHFFFAOYSA-N
Molecular Formula	C7H5NO5

144

2-Nitro-4-(trifluoromethyl)benzoic Acid 98.0+%, TCI America™

CAS: 320-94-5 Molecular Formula: C8H4F3NO4 Molecular Weight (g/mol): 235.118 InChI Key: MYSAXQPTXWKDPQ-UHFFFAOYSA-N Synonym: 2-nitro-4-trifluoromethyl benzoic acid,2-nitro-4-trifluoromethylbenzoic acid,ntfa,4-trifluoromethyl-2-nitrobenzoic acid,benzoic acid, 2-nitro-4-trifluoromethyl,unii-k9m35sv4p3,2-nitro-4-trifluoromethyl-benzoic acid,pubchem4539,acmc-1ahai,2ntf-boa PubChem CID: 642096 SMILES: C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])C(=O)O

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Specifications

PubChem CID	642096
CAS	320-94-5
Molecular Weight (g/mol)	235.118
SMILES	C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])C(=O)O
Synonym	2-nitro-4-trifluoromethyl benzoic acid,2-nitro-4-trifluoromethylbenzoic acid,ntfa,4-trifluoromethyl-2-nitrobenzoic acid,benzoic acid, 2-nitro-4-trifluoromethyl,unii-k9m35sv4p3,2-nitro-4-trifluoromethyl-benzoic acid,pubchem4539,acmc-1ahai,2ntf-boa
InChI Key	MYSAXQPTXWKDPQ-UHFFFAOYSA-N
Molecular Formula	C8H4F3NO4

145

3-Methoxy-4-nitrobenzoic Acid 98.0+%, TCI America™

CAS: 5081-36-7 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.146 MDL Number: MFCD00007353 InChI Key: PWURRRRGLCVBMX-UHFFFAOYSA-N Synonym: 3-methoxy-4-nitrobenzoic acid,4-nitro-3-methoxybenzoic acid,4-nitro-m-anisic acid,benzoic acid, 3-methoxy-4-nitro,3-methoxy-4-nitrobenzoicacid,pubchem3918,acmc-1bn9s,ksc270m6t,3-methoxy4-nitro-benzoic acid,3-methoxy-4-nitro-benzoic acid PubChem CID: 78764 SMILES: COC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-]

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Specifications

PubChem CID	78764
CAS	5081-36-7
Molecular Weight (g/mol)	197.146
MDL Number	MFCD00007353
SMILES	COC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-]
Synonym	3-methoxy-4-nitrobenzoic acid,4-nitro-3-methoxybenzoic acid,4-nitro-m-anisic acid,benzoic acid, 3-methoxy-4-nitro,3-methoxy-4-nitrobenzoicacid,pubchem3918,acmc-1bn9s,ksc270m6t,3-methoxy4-nitro-benzoic acid,3-methoxy-4-nitro-benzoic acid
InChI Key	PWURRRRGLCVBMX-UHFFFAOYSA-N
Molecular Formula	C8H7NO5

146

3-Bromo-4-nitrobenzoic Acid 98.0+%, TCI America™

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

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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
IUPAC Name	3-bromo-4-nitrobenzoic acid
InChI Key	KKPPNEJUUOQRLE-UHFFFAOYSA-N
Molecular Formula	C7H4BrNO4

147

Methyl 2-Methyl-3-nitrobenzoate 98.0+%, TCI America™

CAS: 59382-59-1 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.17 MDL Number: MFCD00082564 InChI Key: CRZGFIMLHZTLGT-UHFFFAOYSA-N Synonym: benzoic acid, 2-methyl-3-nitro-, methyl ester,methyl 3-nitro-o-toluate,2-methyl-3-nitrobenzoic acid methyl ester,methyl 3-nitro-2-methylbenzoate,3-nitro-o-toluic acid methyl ester,2-methyl-3-nitromethylbenzoate,pubchem10933,acmc-1awh8,ksc495s1j,methyl2-methyl-3-nitrobenzoate PubChem CID: 601165 IUPAC Name: methyl 2-methyl-3-nitrobenzoate SMILES: COC(=O)C1=CC=CC(=C1C)[N+]([O-])=O

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Specifications

PubChem CID	601165
CAS	59382-59-1
Molecular Weight (g/mol)	195.17
MDL Number	MFCD00082564
SMILES	COC(=O)C1=CC=CC(=C1C)[N+]([O-])=O
Synonym	benzoic acid, 2-methyl-3-nitro-, methyl ester,methyl 3-nitro-o-toluate,2-methyl-3-nitrobenzoic acid methyl ester,methyl 3-nitro-2-methylbenzoate,3-nitro-o-toluic acid methyl ester,2-methyl-3-nitromethylbenzoate,pubchem10933,acmc-1awh8,ksc495s1j,methyl2-methyl-3-nitrobenzoate
IUPAC Name	methyl 2-methyl-3-nitrobenzoate
InChI Key	CRZGFIMLHZTLGT-UHFFFAOYSA-N
Molecular Formula	C9H9NO4

148

4-Nitrosalicylic Acid 98.0+%, TCI America™

CAS: 619-19-2 Molecular Formula: C7H5NO5 Molecular Weight (g/mol): 183.12 MDL Number: MFCD00071505 InChI Key: UKWUOTZGXIZAJC-UHFFFAOYSA-N Synonym: 4-nitrosalicylic acid,2-hydroxy-4-nitrobenzoic acid,benzoic acid, 2-hydroxy-4-nitro,4-nitro-2-hydroxybenzoic acid,p-nitrosalicylic acid,salicylic acid, 4-nitro,4-nitro-salicylsaure,4-nitro-salicylsaure german,2-hydroxy-4-nitro-benzoic acid,p-nitrosalicylsaure PubChem CID: 69266 IUPAC Name: 2-hydroxy-4-nitrobenzoic acid SMILES: OC(=O)C1=CC=C(C=C1O)[N+]([O-])=O

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Specifications

PubChem CID	69266
CAS	619-19-2
Molecular Weight (g/mol)	183.12
MDL Number	MFCD00071505
SMILES	OC(=O)C1=CC=C(C=C1O)[N+]([O-])=O
Synonym	4-nitrosalicylic acid,2-hydroxy-4-nitrobenzoic acid,benzoic acid, 2-hydroxy-4-nitro,4-nitro-2-hydroxybenzoic acid,p-nitrosalicylic acid,salicylic acid, 4-nitro,4-nitro-salicylsaure,4-nitro-salicylsaure german,2-hydroxy-4-nitro-benzoic acid,p-nitrosalicylsaure
IUPAC Name	2-hydroxy-4-nitrobenzoic acid
InChI Key	UKWUOTZGXIZAJC-UHFFFAOYSA-N
Molecular Formula	C7H5NO5

149

Methyl 2-Methoxy-5-nitrobenzoate 98.0+%, TCI America™

CAS: 34841-11-7 Molecular Formula: C9H9NO5 Molecular Weight (g/mol): 211.173 MDL Number: MFCD00673023 InChI Key: DOBFJVVTBNTGCW-UHFFFAOYSA-N Synonym: 2-methoxy-5-nitrobenzoic acid methyl ester,methyl2-methoxy-5-nitrobenzoate,methyl-2-methoxy-5-nitrobenzoate,5-nitro-o-anisic acid methyl ester,pubchem14052,acmc-1adrt,methyl 5-nitro-o-anisate,asischem d13383,rarechem al bf 0877,timtec-bb sbb014757 PubChem CID: 7020925 IUPAC Name: methyl 2-methoxy-5-nitrobenzoate SMILES: COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OC

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Specifications

PubChem CID	7020925
CAS	34841-11-7
Molecular Weight (g/mol)	211.173
MDL Number	MFCD00673023
SMILES	COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OC
Synonym	2-methoxy-5-nitrobenzoic acid methyl ester,methyl2-methoxy-5-nitrobenzoate,methyl-2-methoxy-5-nitrobenzoate,5-nitro-o-anisic acid methyl ester,pubchem14052,acmc-1adrt,methyl 5-nitro-o-anisate,asischem d13383,rarechem al bf 0877,timtec-bb sbb014757
IUPAC Name	methyl 2-methoxy-5-nitrobenzoate
InChI Key	DOBFJVVTBNTGCW-UHFFFAOYSA-N
Molecular Formula	C9H9NO5

150

3-Methyl-2-nitrobenzoic Acid 98.0+%, TCI America™

CAS: 5437-38-7 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.15 MDL Number: MFCD00007180 InChI Key: DGDAVTPQCQXLGU-UHFFFAOYSA-N Synonym: 3-methyl-2-nitrobenzoic acid,2-nitro-m-toluic acid,2-nitro-3-methylbenzoic acid,benzoic acid, 3-methyl-2-nitro,unii-61wop984ab,3-methyl-2-nitro-benzoic acid,3-methyl-2-nitrobenzoicacid,pubchem8352,acmc-1ashh,dsstox_cid_5640 PubChem CID: 21575 IUPAC Name: 3-methyl-2-nitrobenzoic acid SMILES: CC1=CC=CC(C(O)=O)=C1[N+]([O-])=O

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Specifications

PubChem CID	21575
CAS	5437-38-7
Molecular Weight (g/mol)	181.15
MDL Number	MFCD00007180
SMILES	CC1=CC=CC(C(O)=O)=C1[N+]([O-])=O
Synonym	3-methyl-2-nitrobenzoic acid,2-nitro-m-toluic acid,2-nitro-3-methylbenzoic acid,benzoic acid, 3-methyl-2-nitro,unii-61wop984ab,3-methyl-2-nitro-benzoic acid,3-methyl-2-nitrobenzoicacid,pubchem8352,acmc-1ashh,dsstox_cid_5640
IUPAC Name	3-methyl-2-nitrobenzoic acid
InChI Key	DGDAVTPQCQXLGU-UHFFFAOYSA-N
Molecular Formula	C8H7NO4

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