5-Acetamido-2-nitrobenzoic acid

C₉H₈N₂O₅CAS 4368-83-6224.17 g/mol

Open in Covalent MOL file

Carboxylic acid Nitro

Properties

Molecular formula: C₉H₈N₂O₅
Molar mass: 224.17 g/mol
Exact mass: 224.0433 Da
Melting point: 210–220 °C
logP: 1.90Crippen estimate
Polar surface area: 113.0 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 3

Identifiers

CAS number

4368-83-6

SMILES

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

InChIKey

ZSHFMOUMOUOGKI-UHFFFAOYSA-N

InChI

InChI=1S/C9H8N2O5/c1-5(12)10-6-2-3-8(11(15)16)7(4-6)9(13)14/h2-4H,1H3,(H,10,12)(H,13,14)

Weigh it out

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

Names and synonyms

4 names

Benzoic acid, 5-(acetylamino)-2-nitro-
Benzoic acid, 5-acetamido-2-nitro-
5-(Acetylamino)-2-nitrobenzoic acid
2-Nitro-5-acetylaminobenzoic acid

Work with 5-Acetamido-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

5-Methyl-2-nitrobenzoic acid3113-72-261 % similar N-(4-Chloro-3-nitrophenyl)acetamide5540-60-361 % similar 2,5-Dinitrobenzoic acid610-28-660 % similar 5-Hydroxy-2-nitrobenzoic acid610-37-759 % similar 5-Amino-2-nitrobenzoic acid13280-60-958 % similar 5-Chloro-2-nitrobenzoic acid2516-95-258 % similar 5-Fluoro-2-nitrobenzoic acid320-98-958 % similar 5-Acetamidoanthranilic acid50670-83-258 % similar

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

Same formula

4-(Acetylamino)-3-nitrobenzoic acid1539-06-6 4-Nitrohippuric acid2645-07-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook