2-(2-Chlorophenyl)cyclohexan-1-one

C₁₂H₁₃ClOCAS 91393-49-6208.69 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₁₂H₁₃ClO
Molar mass: 208.69 g/mol
Exact mass: 208.0655 Da
logP: 3.57Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

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

91393-49-6

SMILES

C1CCC(=O)C(C1)C2=CC=CC=C2Cl

InChIKey

UOEXWLLNMGAJDD-UHFFFAOYSA-N

InChI

InChI=1S/C12H13ClO/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1,3,5,7,10H,2,4,6,8H2

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Names and synonyms

1 names

2-(2-Chlorophenyl)cyclohexanone

Work with 2-(2-Chlorophenyl)cyclohexan-1-one

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-Phenylcyclohexanone1444-65-158 % similar 2-Phenylcycloheptan-1-one14996-78-257 % similar 2-(3-Methoxyphenyl)cyclohexanone15547-89-449 % similar 2-Benzylcyclohexanone946-33-844 % similar 2-(2-Chlorophenyl)pyrrolidine129540-21-241 % similar 2-Chloromandelic acid10421-85-940 % similar (-)-2-Chloromandelic acid52950-18-240 % similar (S)-2-Chloromandelic acid52950-19-340 % similar

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

Same formula

(2-Chlorophenyl)cyclopentylmethanone6740-85-8

Elsewhere

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