chempirical

2-Amino-3-nitrobenzoic acid

C7H6N2O4CAS 606-18-8182.13 g/mol

Open in Covalent MOL file
NH2OOHN+OO−
Carboxylic acidNitroPrimary amine

Properties

Molecular formula
C7H6N2O4
Molar mass
182.13 g/mol
Exact mass
182.0328 Da
Melting point
208–209 °C
logP
0.88Crippen estimate
Polar surface area
106.5 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Identifiers

CAS number
606-18-8
SMILES
Nc1c(C(=O)O)cccc1[N+](=O)[O-]
InChIKey
JJPIVRWTAGQTPQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H6N2O4/c8-6-4(7(10)11)2-1-3-5(6)9(12)13/h1-3H,8H2,(H,10,11)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • Benzoic acid, 2-amino-3-nitro-
  • Anthranilic acid, 3-nitro-
  • 3-Nitroanthranilic acid
  • NSC 1162

Work with 2-Amino-3-nitrobenzoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Nitrobenzoic acid552-16-969 % similar 2-Chloro-3-nitrobenzoic acid3970-35-267 % similar 3-Nitrosalicylic acid85-38-167 % similar 2-Methyl-3-nitrobenzoic acid1975-50-465 % similar 2-Bromo-3-nitrobenzoic acid573-54-665 % similar 2-Nitro-1,3-benzenedicarboxylic acid21161-11-562 % similar Methyl 3-nitroanthranilate57113-91-462 % similar 2-Amino-3-nitrophenol603-85-056 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,4-Dinitrotoluene121-14-2 5-Amino-2-nitrobenzoic acid13280-60-9 4-Amino-3-nitrobenzoic acid1588-83-6 2-Amino-6-nitrobenzoic acid50573-74-5 2,3-Dinitrotoluene602-01-7 2,6-Dinitrotoluene606-20-2 3,4-Dinitrotoluene610-39-9 2-Amino-5-nitrobenzoic acid616-79-5

Elsewhere

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