chempirical

2-Chloro-1-phenyl-1-propanone

C9H9ClOCAS 6084-17-9168.62 g/mol

Open in Covalent MOL file
ClO
Alkyl halideKetone

Properties

Molecular formula
C9H9ClO
Molar mass
168.62 g/mol
Exact mass
168.0342 Da
Density
1.56 g/mL (at 25 °C)
Melting point
213–214 °C
Boiling point
80 °C (at 0.3 Torr)
logP
2.50Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
6084-17-9
SMILES
CC(Cl)C(=O)c1ccccc1
InChIKey
AXCPQHPNAZONTH-UHFFFAOYSA-N
InChI
InChI=1S/C9H9ClO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7H,1H3

Weigh it out

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

Names and synonyms

6 names
  • 1-Propanone, 2-chloro-1-phenyl-
  • Propiophenone, 2-chloro-
  • α-Chloropropiophenone
  • 2-Chloropropiophenone
  • NSC 5663
  • 1-Chloroethyl phenyl ketone

Work with 2-Chloro-1-phenyl-1-propanone

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

2-Chloro-1-(4-fluorophenyl)-1-propanone81112-09-665 % similar 2,2-Dichloroacetophenone2648-61-561 % similar Isobutyrophenone611-70-161 % similar α-Bromopropiophenone2114-00-357 % similar 2-Fluoro-1-phenyl-1-propanone21120-36-555 % similar Benzoin isopropyl ether6652-28-451 % similar Phenylglyoxal1075-06-550 % similar Benzoylcyclopropane3481-02-550 % 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 1-(3-Chlorophenyl)-1-propanone34841-35-5 1-(4-Chloro-3-methylphenyl)ethanone37074-39-8 2-Chloro-1-(4-methylphenyl)ethanone4209-24-9

Elsewhere

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