2-Chloro-4'-fluorobenzophenone

C₁₃H₈ClFOCAS 1806-23-1234.65 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₁₃H₈ClFO
Molar mass: 234.65 g/mol
Exact mass: 234.0248 Da
Melting point: 58–59 °C
logP: 3.71Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Warning

H341 Suspected of causing genetic defects100% of notifiers

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

Precautionary statements

P203, P280, P318, P405, P501

Identifiers

CAS number

1806-23-1

SMILES

O=C(c1ccc(F)cc1)c1ccccc1Cl

InChIKey

DODIKYQYCCFWRZ-UHFFFAOYSA-N

InChI

InChI=1S/C13H8ClFO/c14-12-4-2-1-3-11(12)13(16)9-5-7-10(15)8-6-9/h1-8H

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Names and synonyms

6 names

(2-Chlorophenyl)(4-fluorophenyl)methanone
Methanone, (2-chlorophenyl)(4-fluorophenyl)-
Benzophenone, 2-chloro-4′-fluoro-
2-Chloro-4′-fluorobenzophenone
2-Chlorophenyl 4-fluorophenyl ketone
NSC 141026

Work with 2-Chloro-4'-fluorobenzophenone

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-Chlorobenzophenone5162-03-871 % similar 2,4′-Difluorobenzophenone342-25-670 % similar 2,4′-Dichlorobenzophenone85-29-070 % similar (5-Bromo-2-chlorophenyl)(4-fluorophenyl)methanone915095-85-166 % similar (2-Chloro-5-iodophenyl)(4-fluorophenyl)methanone915095-86-266 % similar 2′-Amino-4-fluorobenzophenone3800-06-461 % similar 2-(4-Fluorobenzoyl)benzoic acid7649-92-559 % similar 4-Fluorobenzophenone345-83-559 % similar

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

Elsewhere

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