CAS 4252-78-2|2-chloro-1-(2,4-dichlorophenyl)ethan-1-one|2-chloro-1-(2,4-dichlorophenyl)ethanone|2,2',4'-Trichloroacetophenone|2-chloro-1-(2,4-dichlorophenyl)ethanone|2-chloro-1-(2,4-dichlorophenyl)...

General Information

Structure

Molecular Formula

C₈H₅Cl₃O

Molecular Mass

223.4837

Exact Mass

221.94059782

Charge

InChI

InChI=1S/C8H5Cl3O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3H,4H2

InChIKey

VYWPPRLJNVHPEU-UHFFFAOYSA-N

Canonic Smiles

ClCC(=O)c1ccc(cc1Cl)Cl

Isomeric Smiles

C(=O)(CCl)c1c(cc(cc1)Cl)Cl

Calculated Properties

JChem

Acid pKa

14.840411

H Acceptors

H Donor

LogD (pH = 5.5)

3.2763264

LogD (pH = 7.4)

3.2763264

Log P

3.2763264

Molar Refractivity

50.8236

Polarizability

19.760075

Polar Surface Area

17.07

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

2-chloro-1-(2,4-dichlorophenyl)ethan-1-one

IUPAC Traditional name

2-chloro-1-(2,4-dichlorophenyl)ethanone 2-chloro-1-(2,4-dichlorophenyl)ethan-1-one

Synonyms

2,2',4'-Trichloroacetophenone2-chloro-1-(2,4-dichlorophenyl)ethanone2,2',4'-Trichloroacetophenone2,4-Dichlorophenacyl chloride2,4-Dichlorophenacyl chloride2,2′,4′-三氯苯乙酮2,4-二氯苯甲酰基甲基氯2,2′,4′-Trichloroacetophenoneω,2,4-Trichloroacetophenone三氯苯乙酮2,2',4'-三氯苯乙酮alpha,2,4-Trichloroacetophenone2,2',4'-Trichloroacetophenone

Names and Identifiers

Registration numbers

CAS Number

4252-78-2

Beilstein Number

957098

MDL Number

MFCD00000934

PubChem SID

2488944324849802162035564

EC Number

224-218-2