chempirical

1-(2,3-Dichlorophenyl)ethanone

C8H6Cl2OCAS 56041-57-7189.03 g/mol

Open in Covalent MOL file
OClCl
Aryl halideKetone

Properties

Molecular formula
C8H6Cl2O
Molar mass
189.03 g/mol
Exact mass
187.9796 Da
Melting point
125–127 °C
logP
3.20Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
56041-57-7
SMILES
CC(=O)c1cccc(Cl)c1Cl
InChIKey
KMABBMYSEVZARZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H6Cl2O/c1-5(11)6-3-2-4-7(9)8(6)10/h2-4H,1H3

Weigh it out

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

Names and synonyms

4 names
  • Ethanone, 1-(2,3-dichlorophenyl)-
  • 2′,3′-Dichloroacetophenone
  • 2,3-Dichloroacetophenone
  • 1-(2,3-Dichlorophenyl)ethan-1-one

Work with 1-(2,3-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-(2,3,4-Trichlorophenyl)ethanone13608-87-272 % similar 2′-Chloroacetophenone2142-68-971 % similar 2,3-Dichlorobenzoyl chloride2905-60-458 % similar 2,3-Dichlorobenzoic acid50-45-356 % similar Methyl 2,3-dichlorobenzoate2905-54-656 % similar 1,2-Diacetylbenzene704-00-756 % similar 1,3-Diacetylbenzene6781-42-652 % similar 1-(2-Chloro-5-fluorophenyl)ethanone2965-16-451 % similar

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

Same formula

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 2-(Chloromethyl)benzoyl chloride42908-86-1

Elsewhere

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