chempirical

3-Chloro-1-(4-chlorophenyl)-1-propanone

C9H8Cl2OCAS 3946-29-0203.06 g/mol

Open in Covalent MOL file
OClCl
Alkyl halideAryl halideKetone

Properties

Molecular formula
C9H8Cl2O
Molar mass
203.06 g/mol
Exact mass
201.9952 Da
Melting point
49–50 °C
logP
3.15Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Identifiers

CAS number
3946-29-0
SMILES
O=C(CCCl)c1ccc(Cl)cc1
InChIKey
AYFJBHFMQODYBC-UHFFFAOYSA-N
InChI
InChI=1S/C9H8Cl2O/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4H,5-6H2

Weigh it out

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

Names and synonyms

12 names
  • 1-Propanone, 3-chloro-1-(4-chlorophenyl)-
  • Propiophenone, 3,4′-dichloro-
  • 2-Chloroethyl p-chlorophenyl ketone
  • p,β-Dichloropropiophenone
  • 3,4′-Dichloropropiophenone
  • p-Chloro-β-chloropropiophenone
  • β,p-Dichloropropiophenone
  • 2-Chloroethyl 4-chlorophenyl ketone
  • 2-(4-Chlorobenzoyl)ethyl chloride
  • β-Chloro-p-chloropropiophenone
  • NSC 36074
  • 3-Chloro-4′-chloropropiophenone

Work with 3-Chloro-1-(4-chlorophenyl)-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

4-Chloro-1-(4-chlorophenyl)-1-butanone40877-09-679 % similar 3-Chloropropiophenone936-59-466 % similar 2,4′-Dichloroacetophenone937-20-266 % similar 1-(4-Bromophenyl)-3-chloro-1-propanone31736-73-965 % similar 3-Chloro-4′-fluoropropiophenone347-93-365 % similar 1-(4-Chlorophenyl)-1-butanone4981-63-965 % similar 1-(4-Chlorophenyl)-1-pentanone25017-08-761 % similar 3-(4-Chlorobenzoyl)propionic acid3984-34-761 % similar

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

Same formula

1-(2,4-Dichlorophenyl)-1-propanone37885-41-9 1-(3,4-Dichlorophenyl)-1-propanone6582-42-9

Elsewhere

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