chempirical

1-(2-Chlorophenyl)propan-2-one

C9H9ClOCAS 6305-95-9168.62 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
logP
2.47Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
6305-95-9
SMILES
CC(=O)CC1=CC=CC=C1Cl
InChIKey
LWGNDIMNCPMZOF-UHFFFAOYSA-N
InChI
InChI=1S/C9H9ClO/c1-7(11)6-8-4-2-3-5-9(8)10/h2-5H,6H2,1H3

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Names and synonyms

1 names
  • 1-(2-Chlorophenyl)acetone

Work with 1-(2-Chlorophenyl)propan-2-one

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-Bromophenyl)propan-2-one21906-31-059 % similar (2-Chlorophenyl)acetic acid2444-36-258 % similar 1-(2-Fluorophenyl)-2-propanone2836-82-058 % similar Methyl 2-chlorobenzeneacetate57486-68-757 % similar 1-(2-Methoxyphenyl)-2-propanone5211-62-154 % similar Phenylacetone103-79-752 % similar N-(2-Chlorophenyl)-3-oxobutanamide93-70-948 % similar Indole-3-acetone1201-26-947 % similar

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

Same formula

2-Allyl-4-chlorophenol13997-73-4 1-(3-Chlorophenyl)propan-2-one14123-60-5 4-Ethylbenzoyl chloride16331-45-6 3,4-Dimethylbenzoyl chloride21900-23-2 2,4-Dimethylbenzoyl chloride21900-42-5 2,3-Dimethylbenzene-1-carbonyl chloride21900-46-9 1-(3-Chlorophenyl)-1-propanone34841-35-5 1-(4-Chloro-3-methylphenyl)ethanone37074-39-8

Elsewhere

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