1-(2,3,4-Trichlorophenyl)ethanone

C₈H₅Cl₃OCAS 13608-87-2223.48 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₈H₅Cl₃O
Molar mass: 223.48 g/mol
Exact mass: 221.9406 Da
Melting point: 65.5–66 °C
logP: 3.85Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

13608-87-2

SMILES

CC(=O)c1ccc(Cl)c(Cl)c1Cl

InChIKey

BXJZZJYNVIDEKG-UHFFFAOYSA-N

InChI

InChI=1S/C8H5Cl3O/c1-4(12)5-2-3-6(9)8(11)7(5)10/h2-3H,1H3

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Names and synonyms

5 names

Ethanone, 1-(2,3,4-trichlorophenyl)-
Acetophenone, 2′,3′,4′-trichloro-
2′,3′,4′-Trichloroacetophenone
2,3,4-Trichloroacetophenone
1-(2,3,4-Trichlorophenyl)ethan-1-one

Work with 1-(2,3,4-Trichlorophenyl)ethanone

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-(2,3-Dichlorophenyl)ethanone56041-57-772 % similar 2′-Chloroacetophenone2142-68-955 % similar 2′,4′-Dichloroacetophenone2234-16-455 % similar 1-(2,5-Dichlorophenyl)ethanone2476-37-155 % similar 3′,4′-Dichloroacetophenone2642-63-953 % similar 1-(2-Chloro-5-fluorophenyl)ethanone2965-16-451 % similar 1-(2-Chloro-4-hydroxyphenyl)ethanone68301-59-751 % similar 1-(2-Chloro-4-fluorophenyl)ethanone700-35-651 % similar

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

Same formula

2,2′,4′-Trichloroacetophenone4252-78-2 2-Chloro-1-(3,4-dichlorophenyl)ethanone42981-08-8

Elsewhere

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