chempirical

1-(4-Bromophenyl)-2-chloroethanone

C8H6BrClOCAS 4209-02-3233.49 g/mol

Open in Covalent MOL file
OClBr
Alkyl halideAryl halideKetone

Properties

Molecular formula
C8H6BrClO
Molar mass
233.49 g/mol
Exact mass
231.9291 Da
Melting point
119–120 °C
logP
2.87Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
4209-02-3
SMILES
O=C(CCl)c1ccc(Br)cc1
InChIKey
HCQNNQFCUAGJBD-UHFFFAOYSA-N
InChI
InChI=1S/C8H6BrClO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4H,5H2

Weigh it out

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

Names and synonyms

11 names
  • Ethanone, 1-(4-bromophenyl)-2-chloro-
  • Acetophenone, 4′-bromo-2-chloro-
  • p-Bromophenacyl chloride
  • 4-Bromophenacyl chloride
  • 4′-Bromo-2-chloroacetophenone
  • 4-Bromo-1-(chloroacetyl)benzene
  • p-Bromo-α-chloroacetophenone
  • 4′-Bromo-α-chloroacetophenone
  • NSC 94761
  • Chloromethyl 4-bromophenyl ketone
  • 1-(4-Bromophenyl)-2-chloroethan-1-one

Work with 1-(4-Bromophenyl)-2-chloroethanone

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-(4-Bromophenyl)-3-chloro-1-propanone31736-73-967 % similar 2-Chloro-1-(4-hydroxyphenyl)ethanone6305-04-066 % similar 2,4′-Dichloroacetophenone937-20-262 % similar 4-Bromophenacyl bromide99-73-062 % similar Phenacyl chloride532-27-461 % similar 4′-Bromopropiophenone10342-83-360 % similar 2-Chloro-1-(4-methylphenyl)ethanone4209-24-960 % similar 2-Chloro-4′-fluoroacetophenone456-04-260 % similar

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

Same formula

2-Bromo-1-(3-chlorophenyl)ethanone41011-01-2 2-Bromo-1-(2-chlorophenyl)ethanone5000-66-8 2′-Bromo-4-chloroacetophenone536-38-9

Elsewhere

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