CAS 5731-01-1|4-Acetyl-4'-bromobiphenyl 90%|1-(4'-Bromobiphenyl-4-yl)ethan-1-one|4'-(4-Bromophenyl)acetophenone|1-[4-(4-bromophenyl)phenyl]ethanone|1-[4-(4-bromophenyl)phenyl]ethan-1-one|4-Acetyl-4'...

General Information

Structure

Molecular Formula

C₁₄H₁₁BrO

Molecular Mass

275.14054

Exact Mass

273.99932697

Charge

InChI

InChI=1S/C14H11BrO/c1-10(16)11-2-4-12(5-3-11)13-6-8-14(15)9-7-13/h2-9H,1H3

InChIKey

UUVKNCRMWPNBNM-UHFFFAOYSA-N

Canonic Smiles

Brc1ccc(cc1)c1ccc(cc1)C(=O)C

Isomeric Smiles

O=C(c1ccc(cc1)c1ccc(cc1)Br)C

Calculated Properties

JChem

Acid pKa

16.090958

H Acceptors

H Donor

LogD (pH = 5.5)

3.9468713

LogD (pH = 7.4)

3.9468713

Log P

3.9468713

Molar Refractivity

69.2198

Polarizability

27.654606

Polar Surface Area

17.07

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

4-Acetyl-4'-bromobiphenyl 90%1-(4'-Bromobiphenyl-4-yl)ethan-1-one4'-(4-Bromophenyl)acetophenone4-Acetyl-4'-bromobiphenyl 98%4-Acetyl-4'-bromobiphenyl4'-(4-Bromophenyl)acetophenone4'-(4-溴苯基)苯乙酮4′-(4-Bromophenyl)acetophenone4′-(4-溴苯基)苯乙酮4-Acetyl-4'-broMobiphenyl

IUPAC Traditional name

1-[4-(4-bromophenyl)phenyl]ethanone

IUPAC name

1-[4-(4-bromophenyl)phenyl]ethan-1-one

Names and Identifiers

Registration numbers

CAS Number

5731-01-1

EC Number

227-236-9

Beilstein Number

2048590