4-Amino-3-nitrobenzophenone

C₁₃H₁₀N₂O₃CAS 31431-19-3242.23 g/mol

Open in Covalent MOL file

Ketone Nitro Primary amine

Properties

Molecular formula: C₁₃H₁₀N₂O₃
Molar mass: 242.23 g/mol
Exact mass: 242.0691 Da
Melting point: 139–141 °C
logP: 2.41Crippen estimate
Polar surface area: 86.2 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3

Identifiers

CAS number

31431-19-3

SMILES

Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-]

InChIKey

NGOOFAMQPUEDJM-UHFFFAOYSA-N

InChI

InChI=1S/C13H10N2O3/c14-11-7-6-10(8-12(11)15(17)18)13(16)9-4-2-1-3-5-9/h1-8H,14H2

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Names and synonyms

6 names

Methanone, (4-amino-3-nitrophenyl)phenyl-
Benzophenone, 4-amino-3-nitro-
(4-Amino-3-nitrophenyl)phenylmethanone
4-Benzoyl-2-nitroaniline
2-Nitro-4-benzoylaniline
3-Nitro-4-aminobenzophenone

Work with 4-Amino-3-nitrobenzophenone

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

4-Chloro-3-nitrobenzophenone56107-02-968 % similar 4-Amino-3-nitrobenzoic acid1588-83-662 % similar 3,4-Diaminobenzophenone39070-63-861 % similar 4-Nitrobenzophenone1144-74-759 % similar 3-Nitrobenzophenone2243-80-359 % similar Methyl 4-amino-3-nitrobenzoate3987-92-658 % similar 4-Bromo-2-nitroaniline875-51-454 % similar Nitro-P-phenylenediamine5307-14-253 % similar

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

Same formula

2-(4′-Hydroxyphenylazo)benzoic acid1634-82-8 2-Amino-5-nitrobenzophenone1775-95-7 N-(4-Nitrophenyl)benzamide3393-96-2 N-(2-Nitrophenyl)benzamide728-90-5

Elsewhere

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