(4-Chloro-3-nitrophenyl)(4-fluorophenyl)methanone

C₁₃H₇ClFNO₃CAS 31431-16-0279.65 g/mol

Open in Covalent MOL file

Aryl halide Ketone Nitro

Properties

Molecular formula: C₁₃H₇ClFNO₃
Molar mass: 279.65 g/mol
Exact mass: 279.0098 Da
logP: 3.62Crippen estimate
Polar surface area: 60.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

31431-16-0

SMILES

O=C(c1ccc(F)cc1)c1ccc(Cl)c([N+](=O)[O-])c1

InChIKey

ZUMMQWOIAMKUOT-UHFFFAOYSA-N

InChI

InChI=1S/C13H7ClFNO3/c14-11-6-3-9(7-12(11)16(18)19)13(17)8-1-4-10(15)5-2-8/h1-7H

Weigh it out

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

Names and synonyms

2 names

Methanone, (4-chloro-3-nitrophenyl)(4-fluorophenyl)-
Benzophenone, 4-chloro-4′-fluoro-3-nitro-

Work with (4-Chloro-3-nitrophenyl)(4-fluorophenyl)methanone

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-nitrobenzophenone56107-02-975 % similar 1-Chloro-4-fluoro-2-nitrobenzene345-17-570 % similar 4-Fluoro-4'-nitrobenzophenone2195-47-363 % similar 4-Chloro-3-nitrobenzoyl chloride38818-50-760 % similar 1-(4-Chloro-3-nitrophenyl)ethanone5465-65-658 % similar 4-Chloro-3-nitrobenzoic acid96-99-158 % similar 2-(4-Chloro-3-nitrobenzoyl)benzoic acid85-54-157 % similar 2-Chloro-4-fluoro-1-nitrobenzene2106-50-556 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook