CAS 18523-22-3|2-Bromo-1-(3-bromophenyl)ethan-1-one|2-bromo-1-(3-bromophenyl)ethanone|2-bromo-1-(3-bromophenyl)ethan-1-one|2,3'-Dibromoacetophenone|3-Bromophenacyl bromide 97%|2-bromo-1-(3-bromophen...

General Information

Structure

Molecular Formula

C₈H₆Br₂O

Molecular Mass

277.94064

Exact Mass

275.87853881

Charge

InChI

InChI=1S/C8H6Br2O/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4H,5H2

InChIKey

MZBXSQBQPJWECM-UHFFFAOYSA-N

Canonic Smiles

BrCC(=O)c1cccc(c1)Br

Isomeric Smiles

O=C(c1cc(ccc1)Br)CBr

Calculated Properties

JChem

Acid pKa

15.383163

H Acceptors

H Donor

LogD (pH = 5.5)

3.022485

LogD (pH = 7.4)

3.022485

Log P

3.022485

Molar Refractivity

51.8203

Polarizability

19.8446

Polar Surface Area

17.07

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

2-Bromo-1-(3-bromophenyl)ethan-1-one2,3'-Dibromoacetophenone3-Bromophenacyl bromide 97%2-bromo-1-(3-bromophenyl)-1-ethanoneα,3′-Dibromoacetophenone2,3′-Dibromoacetophenone2,3′-二溴苯乙酮3-溴苯酰甲基溴3-Bromophenacyl bromideα,3′-二溴苯乙酮2-bromo-3'-bromoacetophenone2,3'-二溴苯乙酮alpha,3-Dibromoacetophenone2,3'-Dibromoacetophenone

IUPAC Traditional name

2-bromo-1-(3-bromophenyl)ethanone

IUPAC name

2-bromo-1-(3-bromophenyl)ethan-1-one

Names and Identifiers

Registration numbers

CAS Number

18523-22-3

MDL Number

MFCD00082698

PubChem SID

24884063162077063