chempirical

4-Cyanobenzophenone

C14H9NOCAS 1503-49-7207.23 g/mol

Open in Covalent MOL file
NO
KetoneNitrile

Properties

Molecular formula
C14H9NO
Molar mass
207.23 g/mol
Exact mass
207.0684 Da
Melting point
107–108 °C
logP
2.79Crippen estimate
Polar surface area
40.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
1503-49-7
SMILES
N#Cc1ccc(C(=O)c2ccccc2)cc1
InChIKey
YSZWJJANSNFQMM-UHFFFAOYSA-N
InChI
InChI=1S/C14H9NO/c15-10-11-6-8-13(9-7-11)14(16)12-4-2-1-3-5-12/h1-9H

Weigh it out

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

Names and synonyms

8 names
  • Benzonitrile, 4-benzoyl-
  • Benzonitrile, p-benzoyl-
  • 4-Benzoylbenzonitrile
  • p-Cyanobenzophenone
  • p-Benzoylbenzonitrile
  • p-Cyanophenyl phenyl ketone
  • (4-Cyanophenyl)phenylmethanone
  • 4-Cyanophenyl phenyl ketone

Work with 4-Cyanobenzophenone

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

1,4-Dibenzoylbenzene3016-97-567 % similar 4-Phenylbenzophenone2128-93-057 % similar 4-Cyanobenzamide3034-34-257 % similar 4-Acetylbenzonitrile1443-80-755 % similar 4-Cyanobenzoyl chloride6068-72-055 % similar 4-Cyanobenzoic acid619-65-855 % similar 1,3-Dibenzoylbenzene3770-82-954 % similar 4-Aminobenzophenone1137-41-353 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook