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

C₈H₆BrClOCAS 5000-66-8233.49 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
Boiling point: 97.5–98 °C (at 1 Torr)
logP: 2.92Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Identifiers

CAS number

5000-66-8

SMILES

O=C(CBr)c1ccccc1Cl

InChIKey

WZWWEVCLPKAQTA-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

9 names

Ethanone, 2-bromo-1-(2-chlorophenyl)-
Acetophenone, 2-bromo-2′-chloro-
2-Bromo-2′-chloroacetophenone
o-Chlorophenacyl bromide
2-Chlorophenacyl bromide
2-Bromo-o-chloroacetophenone
2-Bromo-1-(2′-chlorophenyl)ethanone
Bromomethyl 2-chlorophenyl ketone
2-Bromo-1-(2-chlorophenyl)-1-ethanone

Work with 2-Bromo-1-(2-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-Dichlorophenacyl bromide2631-72-367 % similar 2-Bromo-1-(2,5-dichlorophenyl)ethanone4571-25-967 % similar 2-Chloro-β-oxobenzenepropanenitrile40018-25-559 % similar 2-Bromo-1-(2-hydroxyphenyl)ethanone2491-36-358 % similar 2-Bromo-1-(2-fluorophenyl)ethanone655-15-258 % similar 1,2-Bis(2-chlorophenyl)-1,2-ethanedione21854-95-553 % similar 2-Bromo-1-(2-methoxyphenyl)ethanone31949-21-053 % similar 1-(4-Amino-3,5-dichlorophenyl)-2-bromoethanone37148-47-350 % 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-4-chloroacetophenone536-38-9

Elsewhere

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