CAS 536-38-9|CAS 825-40-1|2-bromo-1-(4-chlorophenyl)ethan-1-one|2-bromo-1-(4-chlorophenyl)ethanone|2-Bromo-1-(4-chlorophenyl)ethanone|2-Bromo-4'-chloroacetophenone|4-Chlorophenacyl bromide 98%|2-Bro...

General Information

Structure

Molecular Formula

C₈H₆BrClO

Molecular Mass

233.48964

Exact Mass

231.92905449

Charge

InChI

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

InChIKey

FLAYZKKEOIAALB-UHFFFAOYSA-N

Canonic Smiles

BrCC(=O)c1ccc(cc1)Cl

Isomeric Smiles

C(=O)(c1ccc(cc1)Cl)CBr

Calculated Properties

JChem

Acid pKa

15.460036

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

18.749388

Polar Surface Area

17.07

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

2-Bromo-1-(4-chlorophenyl)ethanone2-Bromo-4'-chloroacetophenone4-Chlorophenacyl bromide 98%2-bromo-1-(4-chlorophenyl)ethan-1-one2-Bromo-1-(4-chlorophenyl)ethan-1-one2-Bromo-4′-chloroacetophenone4-Chlorophenacyl bromide2-溴-4′-氯苯乙酮4-氯苯酰甲基溴4'-Chloro-2-bromoacetophenoneNSC 84522-Bromo-1-(4-chlorophenyl)ethanone4-Chlorophenylacylbromidep-(Bromoacetyl)chlorobenzene2-溴-4'-氯苯乙酮alpha-Bromo-4-chloroacetophenone2-Bromo-4'-chloroacetophenoneω-Bromo-4-chloroacetophenoneω-溴-4-氯苯乙酮α-BROMO-p-CHLOROACETOPHENONE2-Bromo-4'-chloroacetophenone

IUPAC name

2-bromo-1-(4-chlorophenyl)ethan-1-one

IUPAC Traditional name

2-bromo-1-(4-chlorophenyl)ethanone

Names and Identifiers

Registration numbers

MDL Number

MFCD00000625

CAS Number

536-38-9825-40-1

PubChem SID

2485015624846535162058248