chempirical

2,2-Dichloro-1-(2,4-dichlorophenyl)ethanone

C8H4Cl4OCAS 2274-66-0257.92 g/mol

Open in Covalent MOL file
OClClClCl
Alkyl halideAryl halideKetone

Properties

Molecular formula
C8H4Cl4O
Molar mass
257.92 g/mol
Exact mass
255.9016 Da
Boiling point
94 °C (at 0.2 Torr)
logP
3.98Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
2274-66-0
SMILES
O=C(c1ccc(Cl)cc1Cl)C(Cl)Cl
InChIKey
LRXWJPURTZCTEH-UHFFFAOYSA-N
InChI
InChI=1S/C8H4Cl4O/c9-4-1-2-5(6(10)3-4)7(13)8(11)12/h1-3,8H

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Names and synonyms

7 names
  • Ethanone, 2,2-dichloro-1-(2,4-dichlorophenyl)-
  • Acetophenone, 2,2,2′,4′-tetrachloro-
  • 2,2,2′,4′-Tetrachloroacetophenone
  • 2,4-Dichlorophenacylidene dichloride
  • α,α,2′,4′-Tetrachloroacetophenone
  • NSC 81222
  • 2,2-Dichloro-1-(2,4-dichlorophenyl)ethan-1-one

Work with 2,2-Dichloro-1-(2,4-dichlorophenyl)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

2,4-Dichlorobenzoyl chloride89-75-856 % similar 2,4-Dichlorobenzoyl peroxide133-14-254 % similar 2′,4′-Dichloroacetophenone2234-16-454 % similar 2,4-Dichlorobenzoic acid50-84-054 % similar 2,2′,4′-Trichloroacetophenone4252-78-251 % similar 2,4-Dichlorobenzophenone19811-05-350 % similar 2,4-Dichlorophenacyl bromide2631-72-350 % similar Methyl 2,4-dichlorobenzoate35112-28-850 % similar

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

Elsewhere

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