4-(Methylamino)-3-nitrobenzoic acid

C₈H₈N₂O₄CAS 41263-74-5196.16 g/mol

Open in Covalent MOL file

Carboxylic acid Nitro Secondary amine

Properties

Molecular formula: C₈H₈N₂O₄
Molar mass: 196.16 g/mol
Exact mass: 196.0484 Da
logP: 1.33Crippen estimate
Polar surface area: 92.5 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 3

Identifiers

CAS number

41263-74-5

SMILES

CNc1ccc(C(=O)O)cc1[N+](=O)[O-]

InChIKey

KSMLIIWEQBYUKA-UHFFFAOYSA-N

InChI

InChI=1S/C8H8N2O4/c1-9-6-3-2-5(8(11)12)4-7(6)10(13)14/h2-4,9H,1H3,(H,11,12)

Weigh it out

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

Names and synonyms

3 names

Benzoic acid, 4-(methylamino)-3-nitro-
NSC 138300
3-Nitro-4-methylaminobenzoic acid

Work with 4-(Methylamino)-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

3,4-Dinitrobenzoic acid528-45-067 % similar 4-Methyl-3-nitrobenzoic acid96-98-064 % similar Nitroterephthalic acid610-29-763 % similar 4-Hydroxy-3-nitrobenzoic acid616-82-062 % similar 3-Hydroxy-4-nitrobenzoic acid619-14-762 % similar 4-Chloro-3-nitrobenzoic acid96-99-162 % similar 3-Bromo-4-nitrobenzoic acid101420-81-960 % similar 4-Amino-3-nitrobenzoic acid1588-83-660 % similar

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

Same formula

4-Methoxy-3-nitrobenzamide10397-58-7 Methyl 4-amino-3-nitrobenzoate3987-92-6 Methyl 3-nitroanthranilate57113-91-4

Elsewhere

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