1-(3,4-Dichlorophenyl)-1-propanone

C₉H₈Cl₂OCAS 6582-42-9203.06 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₉H₈Cl₂O
Molar mass: 203.06 g/mol
Exact mass: 201.9952 Da
Boiling point: 136–140 °C (at 18 Torr)
logP: 3.59Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Identifiers

CAS number

6582-42-9

SMILES

CCC(=O)c1ccc(Cl)c(Cl)c1

InChIKey

FKGDMSJKLIQBQS-UHFFFAOYSA-N

InChI

InChI=1S/C9H8Cl2O/c1-2-9(12)6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3

Weigh it out

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

Names and synonyms

3 names

1-Propanone, 1-(3,4-dichlorophenyl)-
Propiophenone, 3′,4′-dichloro-
3′,4′-Dichloropropiophenone

Work with 1-(3,4-Dichlorophenyl)-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-(3,4-dichlorophenyl)ethanone42981-08-866 % similar 1-(4-Chlorophenyl)-1-propanone6285-05-859 % similar 1-(3-Chlorophenyl)-1-propanone34841-35-559 % similar 3′,4′-Dichloroacetophenone2642-63-955 % similar 1-(3-Aminophenyl)-1-propanone1197-05-354 % similar 1-(3-Bromophenyl)-1-propanone19829-31-354 % similar 1-(3,4-Difluorophenyl)-1-propanone23384-72-754 % similar 3′,4′-Dihydroxypropiophenone7451-98-154 % similar

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

Same formula

1-(2,4-Dichlorophenyl)-1-propanone37885-41-9 3-Chloro-1-(4-chlorophenyl)-1-propanone3946-29-0

Elsewhere

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