1-(2,4-Dichlorophenyl)-1-butanone

C₁₀H₁₀Cl₂OCAS 66353-47-7217.09 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₁₀H₁₀Cl₂O
Molar mass: 217.09 g/mol
Exact mass: 216.0109 Da
logP: 3.98Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Identifiers

CAS number

66353-47-7

SMILES

CCCC(=O)c1ccc(Cl)cc1Cl

InChIKey

FXCJYMLJTUZGDU-UHFFFAOYSA-N

InChI

InChI=1S/C10H10Cl2O/c1-2-3-10(13)8-5-4-7(11)6-9(8)12/h4-6H,2-3H2,1H3

Weigh it out

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

Names and synonyms

2 names

1-Butanone, 1-(2,4-dichlorophenyl)-
2,4-Dichlorophenyl propyl ketone

Work with 1-(2,4-Dichlorophenyl)-1-butanone

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-(2,4-Dichlorophenyl)-1-pentanone61023-66-383 % similar 1-(2,4-Dichlorophenyl)-1-propanone37885-41-971 % similar 2,2′,4′-Trichloroacetophenone4252-78-264 % similar 2,4-Dichlorophenacyl bromide2631-72-362 % similar 1-(4-Chlorophenyl)-1-butanone4981-63-958 % similar 5-Chloro-1-indanone42348-86-757 % similar 2′,4′-Dichloroacetophenone2234-16-454 % similar 6-Chloro-1-tetralone26673-31-454 % similar

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

Same formula

4-Chloro-1-(4-chlorophenyl)-1-butanone40877-09-6

Elsewhere

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