(1-Bromocyclopentyl)(2-chlorophenyl)methanone

C₁₂H₁₂BrClOCAS 6740-86-9287.58 g/mol

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Properties

Molecular formula: C₁₂H₁₂BrClO
Molar mass: 287.58 g/mol
Exact mass: 285.9760 Da
Boiling point: 111–114 °C (at 0.1 Torr)
logP: 4.23Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Identifiers

CAS number

6740-86-9

SMILES

O=C(c1ccccc1Cl)C1(Br)CCCC1

InChIKey

DDVNLGGCSRULIL-UHFFFAOYSA-N

InChI

InChI=1S/C12H12BrClO/c13-12(7-3-4-8-12)11(15)9-5-1-2-6-10(9)14/h1-2,5-6H,3-4,7-8H2

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Names and synonyms

4 names

Methanone, (1-bromocyclopentyl)(2-chlorophenyl)-
Ketone, 1-bromocyclopentyl o-chlorophenyl
1-Bromocyclopentyl o-chlorophenyl ketone
1-Bromocyclopentyl 2-chlorophenyl ketone

Work with (1-Bromocyclopentyl)(2-chlorophenyl)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

Elsewhere

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