chempirical

2-Amino-4-nitrobenzoic acid

C7H6N2O4CAS 619-17-0182.13 g/mol

Open in Covalent MOL file
NH2N+OO−OHO
Carboxylic acidNitroPrimary amine

Properties

Molecular formula
C7H6N2O4
Molar mass
182.13 g/mol
Exact mass
182.0328 Da
Melting point
269 °C
logP
0.88Crippen estimate
Polar surface area
106.5 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Identifiers

CAS number
619-17-0
SMILES
Nc1cc([N+](=O)[O-])ccc1C(=O)O
InChIKey
UEALKTCRMBVTFN-UHFFFAOYSA-N
InChI
InChI=1S/C7H6N2O4/c8-6-3-4(9(12)13)1-2-5(6)7(10)11/h1-3H,8H2,(H,10,11)

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

Names and synonyms

7 names
  • Benzoic acid, 2-amino-4-nitro-
  • Anthranilic acid, 4-nitro-
  • 4-Nitroanthranilic acid
  • 2-Carboxy-5-nitroaniline
  • 4-Nitro-2-aminobenzoic acid
  • NSC 7789
  • 2-Azaniumyl-4-nitrobenzoate

Work with 2-Amino-4-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-Amino-5-nitrobenzoic acid616-79-581 % similar 2-Hydroxy-4-nitrobenzoic acid619-19-273 % similar 2,4-Dinitrobenzoic acid610-30-070 % similar 2-Methyl-4-nitrobenzoic acid1975-51-567 % similar 2-Fluoro-4-nitrobenzoic acid403-24-767 % similar 2-Chloro-4-nitrobenzoic acid99-60-567 % similar 2-Methoxy-4-nitrobenzoic acid2597-56-066 % similar 2,5-Dinitrobenzoic acid610-28-666 % 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-Amino-3-nitrobenzoic acid606-18-8 2,6-Dinitrotoluene606-20-2 3,4-Dinitrotoluene610-39-9

Elsewhere

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