1-(2-Bromo-4-chlorophenyl)ethanone

C₈H₆BrClOCAS 825-40-1233.49 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₈H₆BrClO
Molar mass: 233.49 g/mol
Exact mass: 231.9291 Da
logP: 3.31Crippen 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

825-40-1

SMILES

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

InChIKey

URBATMJMOGHOCE-UHFFFAOYSA-N

InChI

InChI=1S/C8H6BrClO/c1-5(11)7-3-2-6(10)4-8(7)9/h2-4H,1H3

Weigh it out

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

Names and synonyms

1 names

2-Bromo-4-chloroacetophenone

Work with 1-(2-Bromo-4-chlorophenyl)ethanone

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′,4′-Dichloroacetophenone2234-16-464 % similar 3'-Bromo-5'-chloro-2'-hydroxyacetophenone59443-15-161 % similar 1-(2-Bromo-4-fluorophenyl)ethanone1006-39-960 % similar 1-(4-Chloro-2-fluorophenyl)ethanone175711-83-860 % similar 1-(2-Bromo-4-hydroxyphenyl)ethanone61791-99-960 % similar 1-(4-Chloro-2-hydroxyphenyl)ethanone6921-66-060 % similar Methyl 2-bromo-4-chlorobenzoate57381-62-159 % similar 1-(2,5-Dichlorophenyl)ethanone2476-37-159 % similar

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

Same formula

4-Bromophenylacetyl chloride37859-24-8 2-Bromo-1-(3-chlorophenyl)ethanone41011-01-2 1-(4-Bromophenyl)-2-chloroethanone4209-02-3 2-Bromo-1-(2-chlorophenyl)ethanone5000-66-8 2′-Bromo-4-chloroacetophenone536-38-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook