4-Amino-3-nitrobenzophenone

C13H10N2O3CAS 31431-19-3242.23 g/mol

Open in Covalent MOL file
H2NON+OO−
KetoneNitroPrimary 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 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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

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 3,4'-Dinitrobenzophenone1469-74-553 % 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 4′-Nitrobenzanilide3393-96-2 2′-Nitrobenzanilide728-90-5

Elsewhere

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