5-Amino-2-nitrobenzoic acid

C₇H₆N₂O₄CAS 13280-60-9182.14 g/mol

Open in Covalent MOL file

Carboxylic acid Nitro Primary amine

Properties

Molecular formula: C₇H₆N₂O₄
Molar mass: 182.14 g/mol
Exact mass: 182.0328 Da
logP: 0.88Crippen estimate
Polar surface area: 106.5 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2

Identifiers

CAS number

13280-60-9

SMILES

Nc1ccc([N+](=O)[O-])c(C(=O)O)c1

InChIKey

KZZWQCKYLNIOBT-UHFFFAOYSA-N

InChI

InChI=1S/C7H6N2O4/c8-4-1-2-6(9(12)13)5(3-4)7(10)11/h1-3H,8H2,(H,10,11)

Weigh it out

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

Names and synonyms

4 names

Benzoic acid, 5-amino-2-nitro-
2-Nitro-5-aminobenzoic acid
3-Carboxy-4-nitroaniline
NSC 74455

Work with 5-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

2,5-Dinitrobenzoic acid610-28-668 % similar 5-Hydroxy-2-nitrobenzoic acid610-37-767 % similar 5-Chloro-2-nitrobenzoic acid2516-95-265 % similar 5-Methyl-2-nitrobenzoic acid3113-72-265 % similar 5-Fluoro-2-nitrobenzoic acid320-98-965 % similar Ellman'S reagent69-78-365 % similar 2-Nitrobenzoic acid552-16-961 % similar 5-Methoxy-2-nitrobenzoic acid1882-69-560 % similar

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

Same formula

2,4-Dinitrotoluene121-14-2 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 2-Amino-5-nitrobenzoic acid616-79-5

Elsewhere

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