2-Bromo-2',4'-dichloroacetophenone

C₈H₅BrCl₂OCAS 170894-53-8267.93 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ketone

Properties

Molecular formula: C₈H₅BrCl₂O
Molar mass: 267.93 g/mol
Exact mass: 265.8901 Da
logP: 3.57Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Identifiers

CAS number

170894-53-8

SMILES

C1=CC(=C(C=C1Cl)Cl)C(=O)CBr

InChIKey

DASJDMQCPIDJIF-UHFFFAOYSA-N

InChI

InChI=1S/C8H5BrCl2O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3H,4H2

Weigh it out

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

Names and synonyms

1 names

2-Bromo-1-(2,4-dichlorophenyl)ethan-1-one

Work with 2-Bromo-2',4'-dichloroacetophenone

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2,4-Dichlorophenacyl bromide2631-72-3

Similar compounds

2,2′,4′-Trichloroacetophenone4252-78-268 % similar 2-Bromo-1-(2-chlorophenyl)ethanone5000-66-867 % similar 2-Amino-2',4'-dichloroacetophenone313553-17-266 % similar 1-(2,4-Dichlorophenyl)-1-propanone37885-41-966 % similar 1-(2,4-Dichlorophenyl)-1-butanone66353-47-762 % similar 1-(2,4-Dichlorophenyl)-1-pentanone61023-66-359 % similar 2′-Bromo-4-chloroacetophenone536-38-956 % similar 2-Bromo-1-(3-chlorophenyl)ethanone41011-01-256 % similar

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

Same formula

2-Bromo-1-(3,4-dichlorophenyl)ethanone2632-10-2 2-Bromo-1-(2,5-dichlorophenyl)ethanone4571-25-9

Elsewhere

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