2-Bromo-1-phenylhexan-1-one

C₁₂H₁₅BrOCAS 59774-06-0255.16 g/mol

Open in Covalent MOL file

Alkyl halide Ketone

Properties

Molecular formula: C₁₂H₁₅BrO
Molar mass: 255.16 g/mol
Exact mass: 254.0306 Da
logP: 3.82Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 5

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

59774-06-0

SMILES

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

InChIKey

MQIJCWVCTPNMKW-UHFFFAOYSA-N

InChI

InChI=1S/C12H15BrO/c1-2-3-9-11(13)12(14)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3

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Names and synonyms

1 names

1-Hexanone, 2-bromo-1-phenyl-

Work with 2-Bromo-1-phenylhexan-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-phenyl-pentan-1-one49851-31-282 % similar α-Bromopropiophenone2114-00-350 % similar Cyclobutyl phenyl ketone5407-98-750 % similar Cyclopentyl phenyl ketone5422-88-850 % similar Cyclohexyl phenyl ketone712-50-549 % similar Benzoylcyclopropane3481-02-549 % similar Valerophenone1009-14-947 % similar 2-Bromohexanoyl chloride42768-46-747 % similar

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

Elsewhere

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