2-Chloro-1-(3,4-dichlorophenyl)ethanone

C₈H₅Cl₃OCAS 42981-08-8223.48 g/mol

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Alkyl halide Aryl halide Ketone

Properties

Molecular formula: C₈H₅Cl₃O
Molar mass: 223.48 g/mol
Exact mass: 221.9406 Da
Melting point: 44 °C
Boiling point: 171–173 °C (at 15 Torr)
logP: 3.41Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Identifiers

CAS number

42981-08-8

SMILES

O=C(CCl)c1ccc(Cl)c(Cl)c1

InChIKey

BYTZWANJVUAPNO-UHFFFAOYSA-N

InChI

InChI=1S/C8H5Cl3O/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3H,4H2

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Names and synonyms

7 names

Ethanone, 2-chloro-1-(3,4-dichlorophenyl)-
Acetophenone, 2,3′,4′-trichloro-
2,3′,4′-Trichloroacetophenone
NSC 243689
2-Chloro-3′,4′-dichloroacetophenone
3,4-Dichlorophenacyl chloride
2-Chloro-1-(3,4-dichlorophenyl)ethan-1-one

Work with 2-Chloro-1-(3,4-dichlorophenyl)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-(3,4-Dichlorophenyl)-1-propanone6582-42-966 % similar 2,4′-Dichloroacetophenone937-20-258 % similar 2-Chloro-1-(3,4-difluorophenyl)ethanone51336-95-956 % similar 2-Chloro-3′,4′-dihydroxyacetophenone99-40-156 % similar 3,4-Dichlorobenzoyl chloride3024-72-453 % similar Phenacyl chloride532-27-452 % similar 3′,4′-Dichloroacetophenone2642-63-952 % similar 1-(4-Bromophenyl)-2-chloroethanone4209-02-352 % similar

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

Same formula

1-(2,3,4-Trichlorophenyl)ethanone13608-87-2 2,2′,4′-Trichloroacetophenone4252-78-2

Elsewhere

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