2-Bromo-1-phenyl-pentan-1-one

C₁₁H₁₃BrOCAS 49851-31-2241.13 g/mol

Open in Covalent MOL file

Alkyl halide Ketone

Properties

Molecular formula: C₁₁H₁₃BrO
Molar mass: 241.13 g/mol
Exact mass: 240.0150 Da
logP: 3.43Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 4

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

49851-31-2

SMILES

CCCC(C(=O)C1=CC=CC=C1)Br

InChIKey

XOQFMNXQYSTQPE-UHFFFAOYSA-N

InChI

InChI=1S/C11H13BrO/c1-2-6-10(12)11(13)9-7-4-3-5-8-9/h3-5,7-8,10H,2,6H2,1H3

Weigh it out

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

Work with 2-Bromo-1-phenyl-pentan-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-Bromo-1-phenylhexan-1-one59774-06-082 % similar α-Bromopropiophenone2114-00-353 % similar Benzoylcyclopropane3481-02-552 % similar Cyclobutyl phenyl ketone5407-98-749 % similar Cyclopentyl phenyl ketone5422-88-849 % similar 1,2-Diphenylbutan-1-one16282-16-947 % similar 2,2-Diethoxyacetophenone6175-45-747 % similar 2-Bromo-1,2-diphenylethanone1484-50-047 % similar

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

Same formula

1-(4-Bromophenyl)-1-pentanone7295-44-5 2-Bromo-5-(1,1-dimethylethyl)benzaldehyde875664-28-1

Elsewhere

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