chempirical

2′-Bromo-4-chloroacetophenone

C8H6BrClOCAS 536-38-9233.49 g/mol

Open in Covalent MOL file
OBrCl
Alkyl halideAryl halideKetone

Properties

Molecular formula
C8H6BrClO
Molar mass
233.49 g/mol
Exact mass
231.9291 Da
Melting point
96.5 °C
logP
2.92Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
536-38-9
SMILES
O=C(CBr)c1ccc(Cl)cc1
InChIKey
FLAYZKKEOIAALB-UHFFFAOYSA-N
InChI
InChI=1S/C8H6BrClO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2

Weigh it out

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

Names and synonyms

24 names · show all
  • Ethanone, 2-bromo-1-(4-chlorophenyl)-
  • 4′-Chlorophenacyl bromide
  • α-Bromo-4′-chloroacetophenone
  • Bromomethyl p-chlorophenyl ketone
  • 4-Chloro-α-bromoacetophenone
  • 4′-Chloro-2-bromoacetophenone
  • p-(Bromoacetyl)chlorobenzene
  • Bromomethyl 4-chlorophenyl ketone
  • 2-Bromo-1-(4′-chlorophenyl)ethanone
  • α-Bromo-4-chloroacetophenone
  • 2-Bromo-1-(4-chlorophenyl)-1-ethanone
  • NSC 8452
  • 1-(Bromoacetyl)-4-chlorobenzene
  • Acetophenone, 2-bromo-4′-chloro-
  • 2-Bromo-1-(4-chlorophenyl)ethanone
  • α-Bromo-p-chloroacetophenone
  • 2-Bromo-4′-chloroacetophenone
  • 4-Chloro-ω-bromoacetophenone
  • p-Chlorophenacyl bromide
  • ω-Bromo-p-chloroacetophenone
  • 4-Chlorophenacyl bromide
  • 2-Bromo-p-chloroacetophenone
  • 1-(4-Chlorophenyl)-2-bromo-1-ethanone
  • p-Chloro-ω-bromoacetophenone

Work with 2′-Bromo-4-chloroacetophenone

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

1,1′-[1,1′-Biphenyl]-4,4′-diylbis[2-bromoethanone]4072-67-767 % similar 2,4′-Dichloroacetophenone937-20-262 % similar 4-Bromophenacyl bromide99-73-062 % similar 2-Bromo-1-(4-hydroxyphenyl)ethanone2491-38-560 % similar 4-Fluorophenacyl bromide403-29-260 % similar 4-Methylphenacyl bromide619-41-060 % similar 1-(4-Chlorophenyl)-1-propanone6285-05-860 % similar 1-[1,1′-Biphenyl]-4-yl-2-bromoethanone135-73-958 % similar

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

Same formula

2-Bromo-1-(3-chlorophenyl)ethanone41011-01-2 1-(4-Bromophenyl)-2-chloroethanone4209-02-3 2-Bromo-1-(2-chlorophenyl)ethanone5000-66-8

Elsewhere

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