chempirical

2-Chloro-5-nitrobenzophenone

C13H8ClNO3CAS 34052-37-4261.66 g/mol

Open in Covalent MOL file
ON+OO−Cl
Aryl halideKetoneNitro

Properties

Molecular formula
C13H8ClNO3
Molar mass
261.66 g/mol
Exact mass
261.0193 Da
Melting point
85–86 °C
logP
3.48Crippen estimate
Polar surface area
60.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
34052-37-4
SMILES
O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1Cl
InChIKey
HRPHZUAPQWJPCZ-UHFFFAOYSA-N
InChI
InChI=1S/C13H8ClNO3/c14-12-7-6-10(15(17)18)8-11(12)13(16)9-4-2-1-3-5-9/h1-8H

Weigh it out

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

Names and synonyms

5 names
  • Methanone, (2-chloro-5-nitrophenyl)phenyl-
  • Benzophenone, 2-chloro-5-nitro-
  • (2-Chloro-5-nitrophenyl)phenylmethanone
  • 5-Nitro-2-chlorobenzophenone
  • (2-Chloro-5-nitrophenyl)phenyl)methanone

Work with 2-Chloro-5-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

2-Amino-5-nitrobenzophenone1775-95-767 % similar 3-Nitrobenzophenone2243-80-365 % similar 2-Amino-5-nitro-2′-chlorobenzophenone2011-66-763 % similar 2-Chloro-5-nitrobenzoyl chloride25784-91-262 % similar 4-Nitrobenzophenone1144-74-762 % similar 2′-Chloro-5′-nitroacetophenone23082-50-060 % similar 2-Chloro-5-nitrobenzoic acid2516-96-360 % similar 2-Chloro-5-nitrobenzanilide22978-25-260 % similar

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

Same formula

4-Chloro-3-nitrobenzophenone56107-02-9 4-Chloro-4′-nitrobenzophenone7497-60-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook