2,3'-Dichloroacetophenone

C₈H₆Cl₂OCAS 21886-56-6189.03 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ketone

Properties

Molecular formula: C₈H₆Cl₂O
Molar mass: 189.03 g/mol
Exact mass: 187.9796 Da
logP: 2.76Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Identifiers

CAS number

21886-56-6

SMILES

C1=CC(=CC(=C1)Cl)C(=O)CCl

InChIKey

AVUVSYIYUADCKE-UHFFFAOYSA-N

InChI

InChI=1S/C8H6Cl2O/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

1 names

Ethanone, 2-chloro-1-(3-chlorophenyl)-

Work with 2,3'-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

Similar compounds

1-(3-Chlorophenyl)-1-propanone34841-35-566 % similar 2-Bromo-1-(3-chlorophenyl)ethanone41011-01-266 % similar 2,4′-Dichloroacetophenone937-20-263 % similar Phenacyl chloride532-27-462 % similar 3-(3-Chlorophenyl)-3-oxopropanenitrile21667-62-960 % similar 2-Chloro-1-(3,4-dichlorophenyl)ethanone42981-08-858 % similar 2,2′,4′-Trichloroacetophenone4252-78-254 % similar 3-Chlorobenzoyl chloride618-46-253 % similar

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

Same formula

3',5'-Dichloroacetophenone14401-72-0 1-(2,6-Dichlorophenyl)ethanone2040-05-3 2′,4′-Dichloroacetophenone2234-16-4 1-(2,5-Dichlorophenyl)ethanone2476-37-1 4-Chlorobenzeneacetyl chloride25026-34-0 3′,4′-Dichloroacetophenone2642-63-9 2,2-Dichloroacetophenone2648-61-5 α-Chlorobenzeneacetyl chloride2912-62-1

Elsewhere

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