chempirical

3-Nitrobenzophenone

C13H9NO3CAS 2243-80-3227.22 g/mol

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ON+OO−
KetoneNitro

Properties

Molecular formula
C13H9NO3
Molar mass
227.22 g/mol
Exact mass
227.0582 Da
Melting point
95 °C
Boiling point
234 °C (at 18 Torr)
logP
2.83Crippen estimate
Polar surface area
60.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
2243-80-3
SMILES
O=C(c1ccccc1)c1cccc([N+](=O)[O-])c1
InChIKey
MFYLRNKOXORIPK-UHFFFAOYSA-N
InChI
InChI=1S/C13H9NO3/c15-13(10-5-2-1-3-6-10)11-7-4-8-12(9-11)14(16)17/h1-9H

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

Names and synonyms

5 names
  • Methanone, (3-nitrophenyl)phenyl-
  • Benzophenone, 3-nitro-
  • (3-Nitrophenyl)phenylmethanone
  • m-Nitrobenzophenone
  • NSC 37083

Work with 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

3,3′-Dinitrobenzophenone21222-05-990 % similar 2-Chloro-5-nitrobenzophenone34052-37-465 % similar 4-Chloro-3-nitrobenzophenone56107-02-964 % similar 3-Nitrobenzoyl bromide13277-62-864 % similar 3-Nitrobenzoyl chloride121-90-462 % similar 2-Amino-5-nitrobenzophenone1775-95-761 % similar Sodium M-nitrobenzoate827-95-259 % similar 4-Amino-3-nitrobenzophenone31431-19-359 % similar

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

Same formula

4-Nitrobenzophenone1144-74-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook