chempirical

4-Amino-2-nitrobenzoic acid

C7H6N2O4CAS 610-36-6182.13 g/mol

Open in Covalent MOL file
H2NN+OO−OOH
Carboxylic acidNitroPrimary amine

Properties

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
610-36-6
SMILES
C1=CC(=C(C=C1N)[N+](=O)[O-])C(=O)O
InChIKey
SAJYSJVBNGUWJK-UHFFFAOYSA-N
InChI
InChI=1S/C7H6N2O4/c8-4-1-2-5(7(10)11)6(3-4)9(12)13/h1-3H,8H2,(H,10,11)

Weigh it out

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

Work with 4-Amino-2-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

Nitroterephthalic acid610-29-768 % similar 2,4-Dinitrobenzoic acid610-30-068 % similar 4-Fluoro-2-nitrobenzoic acid394-01-467 % similar 4-Chloro-2-nitrobenzoic acid6280-88-265 % similar 2-Nitrobenzoic acid552-16-961 % similar 2-Nitro-4-trifluoromethylbenzoic acid320-94-560 % similar 4-Methoxy-2-nitrobenzoic acid33844-21-260 % similar 2-Amino-4-nitrobenzoic acid619-17-059 % 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 O-(4-Nitrobenzoyl)hydroxylamine35657-36-4 2-Amino-6-nitrobenzoic acid50573-74-5 2,5-Dioxopyrrolidin-1-yl 2-cyanoacetate56657-76-2 2,3-Dinitrotoluene602-01-7 2-Amino-3-nitrobenzoic acid606-18-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook