2-Bromo-1-(3-chlorophenyl)ethanone

C₈H₆BrClOCAS 41011-01-2233.49 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ketone

Properties

Molecular formula: C₈H₆BrClO
Molar mass: 233.49 g/mol
Exact mass: 231.9291 Da
Melting point: 39.5–40 °C
logP: 2.92Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Identifiers

CAS number

41011-01-2

SMILES

O=C(CBr)c1cccc(Cl)c1

InChIKey

KJVRURZDIOVSSQ-UHFFFAOYSA-N

InChI

InChI=1S/C8H6BrClO/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4H,5H2

Weigh it out

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

Names and synonyms

8 names

Ethanone, 2-bromo-1-(3-chlorophenyl)-
Acetophenone, 2-bromo-3′-chloro-
2-Bromo-3′-chloroacetophenone
3-Chlorophenacyl bromide
m-Chlorophenacyl bromide
2-Bromo-m-chloroacetophenone
α-Bromo-3-chloroacetophenone
2-Bromo-1-(3-chlorophenyl)-1-ethanone

Work with 2-Bromo-1-(3-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

1-(3-Chlorophenyl)-1-propanone34841-35-564 % similar 2-Bromo-1-(3-hydroxyphenyl)ethanone2491-37-462 % similar 2-Bromo-1-[3-(trifluoromethyl)phenyl]ethanone2003-10-357 % similar 2-Bromo-3′-methoxyacetophenone5000-65-757 % similar 2,4-Dichlorophenacyl bromide2631-72-356 % similar 2-Bromo-1-(2,5-dichlorophenyl)ethanone4571-25-956 % similar 2-(Bromoacetyl)naphthalene613-54-754 % similar 3-Nitrophenacyl bromide2227-64-754 % similar

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

Same formula

1-(4-Bromophenyl)-2-chloroethanone4209-02-3 2-Bromo-1-(2-chlorophenyl)ethanone5000-66-8 2′-Bromo-4-chloroacetophenone536-38-9

Elsewhere

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