CAS 5000-66-8|2-Bromo-1-(2-chlorophenyl)-1-ethanone|2-bromo-1-(2-chlorophenyl)ethan-1-one|2-bromo-1-(2-chlorophenyl)ethanone|2-溴-2′-氯苯乙酮|2-Bromo-2′-chloroacetophenone|2-bromo-1-(2-chloropheny...

General Information

Structure

Molecular Formula

C₈H₆BrClO

Molecular Mass

233.48964

Exact Mass

231.92905449

Charge

InChI

InChI=1S/C8H6BrClO/c9-5-8(11)6-3-1-2-4-7(6)10/h1-4H,5H2

InChIKey

WZWWEVCLPKAQTA-UHFFFAOYSA-N

Canonic Smiles

BrCC(=O)c1ccccc1Cl

Isomeric Smiles

c1(C(=O)CBr)c(Cl)cccc1

Calculated Properties

JChem

Acid pKa

15.003739

H Acceptors

H Donor

LogD (pH = 5.5)

2.857777

LogD (pH = 7.4)

2.857777

Log P

2.857777

Molar Refractivity

49.0023

Polarizability

18.760376

Polar Surface Area

17.07

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

2-bromo-1-(2-chlorophenyl)ethanone

IUPAC name

2-bromo-1-(2-chlorophenyl)ethan-1-one

Synonyms

2-Bromo-1-(2-chlorophenyl)-1-ethanone2-溴-2′-氯苯乙酮2-Bromo-2′-chloroacetophenone2-bromo-1-(2-chlorophenyl)ethan-1-oneBromomethyl 2-Chlorophenyl Ketone2'-Chloro-2-bromoacetophenone2-Bromo-1-(2-chlorophenyl)ethanoneo-Chlorophenacyl Bromide2-BroMo-1-(2-chlorophenyl)ethanone2-Chlorophenacyl bromide2-溴-2'-氯苯乙酮2-Chlorophenacyl bromide, tech2-Bromo-2'-chloroacetophenone2-Bromo-1-(2-chlorophenyl)ethan-1-one2-Bromo-2'-chloroacetophenone2-Bromo-2'-chloroacetophenone

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem SID

PubChem CID

Registration numbers

Properties