chempirical

2′-Chloroacetophenone

C8H7ClOCAS 2142-68-9154.59 g/mol

Open in Covalent MOL file
OCl
Aryl halideKetone

Properties

Molecular formula
C8H7ClO
Molar mass
154.59 g/mol
Exact mass
154.0185 Da
Density
1.1884 g/mL (at 25 °C)
Melting point
25–28 °C
Boiling point
227–278 °C (at 788 Torr)
logP
2.54Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
2142-68-9
SMILES
CC(=O)c1ccccc1Cl
InChIKey
ZDOYHCIRUPHUHN-UHFFFAOYSA-N
InChI
InChI=1S/C8H7ClO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,1H3

Weigh it out

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

Names and synonyms

11 names
  • Ethanone, 1-(2-chlorophenyl)-
  • Acetophenone, 2′-chloro-
  • 1-(2-Chlorophenyl)ethanone
  • o-Chloroacetophenone
  • o-Chlorophenyl methyl ketone
  • Methyl 2-chlorophenyl ketone
  • 2-Chlorophenyl methyl ketone
  • NSC 405474
  • 2-Acetylphenyl chloride
  • 2-Chloro-1-acetylbenzene
  • 1-(2-Chlorophenyl)ethan-1-one

Work with 2′-Chloroacetophenone

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-Dichlorophenyl)ethanone56041-57-771 % similar 1,2-Diacetylbenzene704-00-767 % similar 2′,4′-Dichloroacetophenone2234-16-463 % similar 1-(2,5-Dichlorophenyl)ethanone2476-37-163 % similar 1-(2,6-Dichlorophenyl)ethanone2040-05-363 % similar 1-(2-Chloro-5-fluorophenyl)ethanone2965-16-459 % similar 1-(2-Chloro-4-hydroxyphenyl)ethanone68301-59-759 % similar 1-(2-Chloro-4-fluorophenyl)ethanone700-35-659 % similar

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

Same formula

Phenylacetyl chloride103-80-0 2-Chloro-6-methylbenzaldehyde1194-64-5 3-Methylbenzoyl chloride1711-06-4 4-Chlorostyrene oxide2788-86-5 Phenacyl chloride532-27-4 4-Methylbenzoyl chloride874-60-2 2-Methylbenzoyl chloride933-88-0 1-(3-Chlorophenyl)ethanone99-02-5

Elsewhere

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