chempirical

(4-Chlorophenyl)acetone

C9H9ClOCAS 5586-88-9168.62 g/mol

Open in Covalent MOL file
OCl
Aryl halideKetone

Properties

Molecular formula
C9H9ClO
Molar mass
168.62 g/mol
Exact mass
168.0342 Da
Density
1.14 g/mL
Melting point
6–8 °C
Boiling point
85–86 °C (at 1 Torr)
logP
2.47Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
5586-88-9
SMILES
CC(=O)Cc1ccc(Cl)cc1
InChIKey
WEJRYKSUUFKMBC-UHFFFAOYSA-N
InChI
InChI=1S/C9H9ClO/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5H,6H2,1H3

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Names and synonyms

13 names · show all
  • 2-Propanone, 1-(4-chlorophenyl)-
  • 2-Propanone, 1-(p-chlorophenyl)-
  • 2-Propanone, (p-chlorophenyl)-
  • 1-(4-Chlorophenyl)-2-propanone
  • (p-Chlorophenyl)acetone
  • Methyl p-chlorobenzyl ketone
  • 1-(p-Chlorophenyl)-2-propanone
  • p-Chlorophenyl-2-propanone
  • p-Chlorobenzyl methyl ketone
  • 4-Chlorobenzyl methyl ketone
  • NSC 22985
  • 1-(4-Chlorophenyl)propan-2-one
  • 1-(4-Chlorophenyl)acetone

Work with (4-Chlorophenyl)acetone

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

4-Hydroxyphenylacetone770-39-862 % similar Phenylacetone103-79-761 % similar (4-Fluorophenyl)acetone459-03-060 % similar 4-Chlorobenzeneacetyl chloride25026-34-057 % similar 4-Pyridylacetone6304-16-157 % similar 4-Methoxyphenylacetone122-84-956 % similar (4-Chlorophenyl)acetic acid1878-66-655 % similar 1-[(4-Chlorophenyl)thio]-2-propanone25784-83-255 % similar

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

Same formula

2-Allyl-4-chlorophenol13997-73-4 4-Ethylbenzoyl chloride16331-45-6 3,4-Dimethylbenzoyl chloride21900-23-2 2,4-Dimethylbenzoyl chloride21900-42-5 1-(3-Chlorophenyl)-1-propanone34841-35-5 1-(4-Chloro-3-methylphenyl)ethanone37074-39-8 2-Chloro-1-(4-methylphenyl)ethanone4209-24-9 2-Chloro-1-phenyl-1-propanone6084-17-9

Elsewhere

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