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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166 – 180 of 1,063 results

166

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

CAS: 51282-49-6 Molecular Formula: C8H6ClNO4 Molecular Weight (g/mol): 215.589 MDL Number: MFCD00272139 InChI Key: JGBJHRKCUKTQOE-UHFFFAOYSA-N Synonym: 5-chloro-2-nitrobenzoic acid methyl ester,benzoic acid, 5-chloro-2-nitro-, methyl ester,unii-1t5d4k1v51,methyl 5-chloro-2-nitro-benzoate,pubchem3712,acmc-209ksr,dsstox_cid_24948,dsstox_rid_80608,dsstox_gsid_44948,ksc495i7r PubChem CID: 171018 IUPAC Name: methyl 5-chloro-2-nitrobenzoate SMILES: COC(=O)C1=C(C=CC(=C1)Cl)[N+](=O)[O-]

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Specifications

PubChem CID	171018
CAS	51282-49-6
Molecular Weight (g/mol)	215.589
MDL Number	MFCD00272139
SMILES	COC(=O)C1=C(C=CC(=C1)Cl)[N+](=O)[O-]
Synonym	5-chloro-2-nitrobenzoic acid methyl ester,benzoic acid, 5-chloro-2-nitro-, methyl ester,unii-1t5d4k1v51,methyl 5-chloro-2-nitro-benzoate,pubchem3712,acmc-209ksr,dsstox_cid_24948,dsstox_rid_80608,dsstox_gsid_44948,ksc495i7r
IUPAC Name	methyl 5-chloro-2-nitrobenzoate
InChI Key	JGBJHRKCUKTQOE-UHFFFAOYSA-N
Molecular Formula	C8H6ClNO4

167

4-Fluoro-2-nitrobenzoic Acid 98.0+%, TCI America™

CAS: 394-01-4 Molecular Formula: C7H4FNO4 Molecular Weight (g/mol): 185.11 MDL Number: MFCD00024300 InChI Key: YLUCXHMYRQUERW-UHFFFAOYSA-N Synonym: 4-fluoro-2-nitrobenzoic acid,2-nitro-4-fluorobenzoic acid,4-fluoro-2-nitrobenzoicacid,benzoic acid, 4-fluoro-2-nitro,4-fluoro-2-nitro-benzoic acid,4-fluoro-2-nitrobenzoic acid 2-nitro-4-fluorobenzoic acid,pubchem1311,acmc-1aim5,ksc497m7t,2-carboxy-5-fluoronitrobenzene PubChem CID: 2737416 SMILES: C1=CC(=C(C=C1F)[N+](=O)[O-])C(=O)O

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PubChem CID	2737416
CAS	394-01-4
Molecular Weight (g/mol)	185.11
MDL Number	MFCD00024300
SMILES	C1=CC(=C(C=C1F)[N+](=O)[O-])C(=O)O
Synonym	4-fluoro-2-nitrobenzoic acid,2-nitro-4-fluorobenzoic acid,4-fluoro-2-nitrobenzoicacid,benzoic acid, 4-fluoro-2-nitro,4-fluoro-2-nitro-benzoic acid,4-fluoro-2-nitrobenzoic acid 2-nitro-4-fluorobenzoic acid,pubchem1311,acmc-1aim5,ksc497m7t,2-carboxy-5-fluoronitrobenzene
InChI Key	YLUCXHMYRQUERW-UHFFFAOYSA-N
Molecular Formula	C7H4FNO4

168

5-Chloro-2-nitrobenzoic Acid 98.0+%, TCI America™

CAS: 2516-95-2 Molecular Formula: C7H4ClNO4 Molecular Weight (g/mol): 201.562 MDL Number: MFCD00007290 InChI Key: ZKUYSJHXBFFGPU-UHFFFAOYSA-N Synonym: 5-chloro-2-nitrobenzoic acid,benzoic acid, 5-chloro-2-nitro,2-nitro-5-chlorobenzoic acid,3-chloro-6-nitrobenzoic acid,5-chloro-2-nitro-benzoic acid,pubchem4586,acmc-209ghs,rarechem al bo 1106,timtec-bb sbb009922,2-nitro-5-chlorobenzoate PubChem CID: 17286 SMILES: C1=CC(=C(C=C1Cl)C(=O)O)[N+](=O)[O-]

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PubChem CID	17286
CAS	2516-95-2
Molecular Weight (g/mol)	201.562
MDL Number	MFCD00007290
SMILES	C1=CC(=C(C=C1Cl)C(=O)O)[N+](=O)[O-]
Synonym	5-chloro-2-nitrobenzoic acid,benzoic acid, 5-chloro-2-nitro,2-nitro-5-chlorobenzoic acid,3-chloro-6-nitrobenzoic acid,5-chloro-2-nitro-benzoic acid,pubchem4586,acmc-209ghs,rarechem al bo 1106,timtec-bb sbb009922,2-nitro-5-chlorobenzoate
InChI Key	ZKUYSJHXBFFGPU-UHFFFAOYSA-N
Molecular Formula	C7H4ClNO4

169

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

CAS: 6307-82-0 Molecular Formula: C8H6ClNO4 Molecular Weight (g/mol): 215.589 MDL Number: MFCD00184587 InChI Key: VCYWZLGOWNCJNJ-UHFFFAOYSA-N Synonym: 2-chloro-5-nitrobenzoic acid methyl ester,benzoic acid, 2-chloro-5-nitro-, methyl ester,methyl 2-chloro-5-nitrobenzenecarboxylate,2-chloro-5-nitro-benzoic acid methyl ester,methylester kyseliny 2-chlor-5-nitrobenzoove czech,pubchem3711,acmc-209ncv,methylester kyseliny 2-chlor-5-nitrobenzoove,4-09-00-01228 beilstein handbook reference,methyl2-chloro-5-nitrobenzoate PubChem CID: 22754 IUPAC Name: methyl 2-chloro-5-nitrobenzoate SMILES: COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Cl

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PubChem CID	22754
CAS	6307-82-0
Molecular Weight (g/mol)	215.589
MDL Number	MFCD00184587
SMILES	COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Cl
Synonym	2-chloro-5-nitrobenzoic acid methyl ester,benzoic acid, 2-chloro-5-nitro-, methyl ester,methyl 2-chloro-5-nitrobenzenecarboxylate,2-chloro-5-nitro-benzoic acid methyl ester,methylester kyseliny 2-chlor-5-nitrobenzoove czech,pubchem3711,acmc-209ncv,methylester kyseliny 2-chlor-5-nitrobenzoove,4-09-00-01228 beilstein handbook reference,methyl2-chloro-5-nitrobenzoate
IUPAC Name	methyl 2-chloro-5-nitrobenzoate
InChI Key	VCYWZLGOWNCJNJ-UHFFFAOYSA-N
Molecular Formula	C8H6ClNO4

170

4,5-Dimethoxy-2-nitrobenzoic Acid 98.0+%, TCI America™

CAS: 4998-07-6 Molecular Formula: C9H8NO6 Molecular Weight (g/mol): 226.17 MDL Number: MFCD00014697 InChI Key: WWCMFGBGMJAJRX-UHFFFAOYSA-M Synonym: 4,5-dimethoxy-2-nitrobenzoic acid,6-nitroveratric acid,3,4-dimethoxy-6-nitrobenzoic acid,benzoic acid, 4,5-dimethoxy-2-nitro,zlchem 681,acmc-2097gn,ksc496i5r,4,5-dimethoxy-2-nitrobenzoicacid,2-nitro-4,5-dimethoxybenzoic acid,4,5-dimethoxy-2-nitro-benzoic acid PubChem CID: 78690 SMILES: COC1=C(C=C(C(=C1)C(=O)O)[N+](=O)[O-])OC

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PubChem CID	78690
CAS	4998-07-6
Molecular Weight (g/mol)	226.17
MDL Number	MFCD00014697
SMILES	COC1=C(C=C(C(=C1)C(=O)O)[N+](=O)[O-])OC
Synonym	4,5-dimethoxy-2-nitrobenzoic acid,6-nitroveratric acid,3,4-dimethoxy-6-nitrobenzoic acid,benzoic acid, 4,5-dimethoxy-2-nitro,zlchem 681,acmc-2097gn,ksc496i5r,4,5-dimethoxy-2-nitrobenzoicacid,2-nitro-4,5-dimethoxybenzoic acid,4,5-dimethoxy-2-nitro-benzoic acid
InChI Key	WWCMFGBGMJAJRX-UHFFFAOYSA-M
Molecular Formula	C9H8NO6

171

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

CAS: 7356-11-8 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.17 MDL Number: MFCD00130054 InChI Key: YFPBHPCMYFCRKS-UHFFFAOYSA-N Synonym: methyl 3-nitro-4-methylbenzoate,4-methyl-3-nitrobenzoic acid methyl ester,benzoic acid, 4-methyl-3-nitro-, methyl ester,methyl 3-nitro-p-toluate,4-methyl-3-nitro-benzoic acid methyl ester,pubchem10934,acmc-1bfci,ksc497g4t,methyl4-methyl-3-nitrobenzoate,4-methoxycarbonyl-2-nitrotoluene PubChem CID: 81816 IUPAC Name: methyl 4-methyl-3-nitrobenzoate SMILES: CC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]

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Specifications

PubChem CID	81816
CAS	7356-11-8
Molecular Weight (g/mol)	195.17
MDL Number	MFCD00130054
SMILES	CC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]
Synonym	methyl 3-nitro-4-methylbenzoate,4-methyl-3-nitrobenzoic acid methyl ester,benzoic acid, 4-methyl-3-nitro-, methyl ester,methyl 3-nitro-p-toluate,4-methyl-3-nitro-benzoic acid methyl ester,pubchem10934,acmc-1bfci,ksc497g4t,methyl4-methyl-3-nitrobenzoate,4-methoxycarbonyl-2-nitrotoluene
IUPAC Name	methyl 4-methyl-3-nitrobenzoate
InChI Key	YFPBHPCMYFCRKS-UHFFFAOYSA-N
Molecular Formula	C9H9NO4

172

Methyl 2,6-Difluoro-3-nitrobenzoate 98.0+%, TCI America™

CAS: 84832-01-9 Molecular Formula: C8H5F2NO4 Molecular Weight (g/mol): 217.128 MDL Number: MFCD07368850 InChI Key: CIHHBTMZOLRCRL-UHFFFAOYSA-N PubChem CID: 43449035 IUPAC Name: methyl 2,6-difluoro-3-nitrobenzoate SMILES: COC(=O)C1=C(C=CC(=C1F)[N+](=O)[O-])F

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Specifications

PubChem CID	43449035
CAS	84832-01-9
Molecular Weight (g/mol)	217.128
MDL Number	MFCD07368850
SMILES	COC(=O)C1=C(C=CC(=C1F)[N+](=O)[O-])F
IUPAC Name	methyl 2,6-difluoro-3-nitrobenzoate
InChI Key	CIHHBTMZOLRCRL-UHFFFAOYSA-N
Molecular Formula	C8H5F2NO4

173

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

CAS: 5471-82-9 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.174 MDL Number: MFCD01003947 InChI Key: NJHDBIXFFZVJGZ-UHFFFAOYSA-N Synonym: methyl3-methyl-2-nitrobenzoate,methyl 3-methyl-2-nitrobenzenecarboxylate,benzoic acid, 3-methyl-2-nitro-, methyl ester,2-nitro-3-methylbenzoic acid, methyl ester,3-methyl-2-nitrobenzoic acid methyl ester,pubchem10932,acmc-1ap0b,ksc495q9t,methyl 2-nitro-3-methylbenzoate,methyl 3-methyl-2-nitro-benzoate PubChem CID: 79621 IUPAC Name: methyl 3-methyl-2-nitrobenzoate SMILES: CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OC

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Specifications

PubChem CID	79621
CAS	5471-82-9
Molecular Weight (g/mol)	195.174
MDL Number	MFCD01003947
SMILES	CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OC
Synonym	methyl3-methyl-2-nitrobenzoate,methyl 3-methyl-2-nitrobenzenecarboxylate,benzoic acid, 3-methyl-2-nitro-, methyl ester,2-nitro-3-methylbenzoic acid, methyl ester,3-methyl-2-nitrobenzoic acid methyl ester,pubchem10932,acmc-1ap0b,ksc495q9t,methyl 2-nitro-3-methylbenzoate,methyl 3-methyl-2-nitro-benzoate
IUPAC Name	methyl 3-methyl-2-nitrobenzoate
InChI Key	NJHDBIXFFZVJGZ-UHFFFAOYSA-N
Molecular Formula	C9H9NO4

174

3-Methoxy-2-nitrobenzoic Acid 99.0+%, TCI America™

CAS: 4920-80-3 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.146 MDL Number: MFCD00007143 InChI Key: YMOMYSDAOXOCID-UHFFFAOYSA-N Synonym: 3-methoxy-2-nitrobenzoic acid,2-nitro-3-methoxybenzoic acid,benzoic acid, 3-methoxy-2-nitro,2-nitro-m-anisic acid,m-anisic acid, 2-nitro,3-methoxy-2-nitrobenzoicacid,pubchem12905,acmc-1ao65,ksc238g2p PubChem CID: 78632 SMILES: COC1=CC=CC(=C1[N+](=O)[O-])C(=O)O

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Specifications

PubChem CID	78632
CAS	4920-80-3
Molecular Weight (g/mol)	197.146
MDL Number	MFCD00007143
SMILES	COC1=CC=CC(=C1[N+](=O)[O-])C(=O)O
Synonym	3-methoxy-2-nitrobenzoic acid,2-nitro-3-methoxybenzoic acid,benzoic acid, 3-methoxy-2-nitro,2-nitro-m-anisic acid,m-anisic acid, 2-nitro,3-methoxy-2-nitrobenzoicacid,pubchem12905,acmc-1ao65,ksc238g2p
InChI Key	YMOMYSDAOXOCID-UHFFFAOYSA-N
Molecular Formula	C8H7NO5

175

2-Nitroisophthalic Acid 95.0+%, TCI America™

CAS: 21161-11-5 Molecular Formula: C8H5NO6 Molecular Weight (g/mol): 211.129 MDL Number: MFCD00017007 InChI Key: CAHWDGJDQYAFHM-UHFFFAOYSA-N PubChem CID: 88806 SMILES: C1=CC(=C(C(=C1)C(=O)O)[N+](=O)[O-])C(=O)O

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Specifications

PubChem CID	88806
CAS	21161-11-5
Molecular Weight (g/mol)	211.129
MDL Number	MFCD00017007
SMILES	C1=CC(=C(C(=C1)C(=O)O)[N+](=O)[O-])C(=O)O
InChI Key	CAHWDGJDQYAFHM-UHFFFAOYSA-N
Molecular Formula	C8H5NO6

176

4-Bromo-2-nitrobenzoic Acid 98.0+%, TCI America™

CAS: 99277-71-1 Molecular Formula: C7H3BrNO4 Molecular Weight (g/mol): 245.01 MDL Number: MFCD01013599 InChI Key: ZIRHHEZLJGORGU-UHFFFAOYSA-M Synonym: 4-bromo-2-nitrobenzoic acid,4-bromo-2-nitro-benzoic acid,2-nitro-4-bromobenzoic acid,5-bromo-2-carboxynitrobenzene,benzoic acid, 4-bromo-2-nitro,4-bromo-2-nitrobenzoicacid,pubchem2055,4-bromo-2-nitrobenzoic,acmc-209sc4,bromonitrobenzoicacid 42- PubChem CID: 3774467 IUPAC Name: 4-bromo-2-nitrobenzoate SMILES: [O-]C(=O)C1=CC=C(Br)C=C1[N+]([O-])=O

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Specifications

PubChem CID	3774467
CAS	99277-71-1
Molecular Weight (g/mol)	245.01
MDL Number	MFCD01013599
SMILES	[O-]C(=O)C1=CC=C(Br)C=C1[N+]([O-])=O
Synonym	4-bromo-2-nitrobenzoic acid,4-bromo-2-nitro-benzoic acid,2-nitro-4-bromobenzoic acid,5-bromo-2-carboxynitrobenzene,benzoic acid, 4-bromo-2-nitro,4-bromo-2-nitrobenzoicacid,pubchem2055,4-bromo-2-nitrobenzoic,acmc-209sc4,bromonitrobenzoicacid 42-
IUPAC Name	4-bromo-2-nitrobenzoate
InChI Key	ZIRHHEZLJGORGU-UHFFFAOYSA-M
Molecular Formula	C7H3BrNO4

177

Methyl 2-Bromo-4-nitrobenzoate 98.0+%, TCI America™

CAS: 100959-22-6 Molecular Formula: C8H6BrNO4 Molecular Weight (g/mol): 260.043 MDL Number: MFCD07779271 InChI Key: XYMZAFDNPJLOTP-UHFFFAOYSA-N Synonym: 2-Bromo-4-nitrobenzoic Acid Methyl Ester PubChem CID: 15833211 IUPAC Name: methyl 2-bromo-4-nitrobenzoate SMILES: COC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Br

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Specifications

PubChem CID	15833211
CAS	100959-22-6
Molecular Weight (g/mol)	260.043
MDL Number	MFCD07779271
SMILES	COC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Br
Synonym	2-Bromo-4-nitrobenzoic Acid Methyl Ester
IUPAC Name	methyl 2-bromo-4-nitrobenzoate
InChI Key	XYMZAFDNPJLOTP-UHFFFAOYSA-N
Molecular Formula	C8H6BrNO4

178

4-Nitrophthalic Acid 98.0+%, TCI America™

CAS: 610-27-5 Molecular Formula: C8H5NO6 Molecular Weight (g/mol): 211.129 MDL Number: MFCD00007252 InChI Key: SLBQXWXKPNIVSQ-UHFFFAOYSA-N Synonym: 4-nitrophthalic acid,5-nitrophthalic acid,4-nitrobenzene-1,2-dicarboxylic acid,1,2-benzenedicarboxylic acid, 4-nitro,phthalic acid, 4-nitro,4-nitrophthalicacid,p-nitrophthalic acid,4-nitro-phthalic acid,acmc-209mo8 PubChem CID: 69121 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)C(=O)O

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Specifications

PubChem CID	69121
CAS	610-27-5
Molecular Weight (g/mol)	211.129
MDL Number	MFCD00007252
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)C(=O)O
Synonym	4-nitrophthalic acid,5-nitrophthalic acid,4-nitrobenzene-1,2-dicarboxylic acid,1,2-benzenedicarboxylic acid, 4-nitro,phthalic acid, 4-nitro,4-nitrophthalicacid,p-nitrophthalic acid,4-nitro-phthalic acid,acmc-209mo8
InChI Key	SLBQXWXKPNIVSQ-UHFFFAOYSA-N
Molecular Formula	C8H5NO6

179

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

CAS: 5307-17-5 Molecular Formula: C9H9NO5 Molecular Weight (g/mol): 211.17 MDL Number: MFCD00051968 InChI Key: FDQQRLPHAAICCR-UHFFFAOYSA-N Synonym: benzoic acid, 3-methoxy-2-nitro-, methyl ester,3-methoxy-2-nitrobenzoic acid methyl ester,m-anisic acid, 2-nitro-, methyl ester,maybridge1_002124,cbmicro_008502,methyl 2-nitro-m-anisate,methyl 3-methoxy-2-nitro-benzoate,2-nitro-m-anisic acid methyl ester,3-methoxy-2-nitro-benzoic acid methyl ester PubChem CID: 79195 IUPAC Name: methyl 3-methoxy-2-nitrobenzoate SMILES: COC(=O)C1=CC=CC(OC)=C1[N+]([O-])=O

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Specifications

PubChem CID	79195
CAS	5307-17-5
Molecular Weight (g/mol)	211.17
MDL Number	MFCD00051968
SMILES	COC(=O)C1=CC=CC(OC)=C1[N+]([O-])=O
Synonym	benzoic acid, 3-methoxy-2-nitro-, methyl ester,3-methoxy-2-nitrobenzoic acid methyl ester,m-anisic acid, 2-nitro-, methyl ester,maybridge1_002124,cbmicro_008502,methyl 2-nitro-m-anisate,methyl 3-methoxy-2-nitro-benzoate,2-nitro-m-anisic acid methyl ester,3-methoxy-2-nitro-benzoic acid methyl ester
IUPAC Name	methyl 3-methoxy-2-nitrobenzoate
InChI Key	FDQQRLPHAAICCR-UHFFFAOYSA-N
Molecular Formula	C9H9NO5

180

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

CAS: 3970-35-2 Molecular Formula: C7H4ClNO4 Molecular Weight (g/mol): 201.562 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)	201.562
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

Nitrobenzoic acids and derivatives

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