CAS 6793-92-6|1-(benzyloxy)-4-bromobenzene|1-(benzyloxy)-4-bromobenzene|4-Benzyloxybromobenzene|4-苄氧基溴苯|4-Benzyloxybromobenzene|p-(Benzyloxy)bromobenzene|4-Benzyloxy-1-bromobenzene|p-(Benzyloxy...

General Information

Structure

Molecular Formula

C₁₃H₁₁BrO

Molecular Mass

263.12984

Exact Mass

261.99932697

Charge

InChI

InChI=1S/C13H11BrO/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9H,10H2

InChIKey

OUQSGILAXUXMGI-UHFFFAOYSA-N

Canonic Smiles

Brc1ccc(cc1)OCc1ccccc1

Isomeric Smiles

c1c(ccc(c1)Br)OCc1ccccc1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

4.3088

LogD (pH = 7.4)

4.3088

Log P

4.3088

Molar Refractivity

64.7566

Polarizability

25.123045

Polar Surface Area

9.23

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

1-(benzyloxy)-4-bromobenzene

IUPAC name

1-(benzyloxy)-4-bromobenzene

Synonyms

4-Benzyloxybromobenzene4-苄氧基溴苯4-Benzyloxybromobenzenep-(Benzyloxy)bromobenzene4-Benzyloxy-1-bromobenzenep-(Benzyloxy)phenyl Bromidep-Bromophenyl Benzyl Ether4-(Benzyloxy)bromobenzene1-Bromo-4-(phenylmethoxy)benzeneBenzyl p-Bromophenyl Ether1-Bromo-4-(benzyloxy)benzeneBenzyl 4-Bromophenyl Ether1-Bromo-4-(phenylmethoxy)benzene1-Benzyloxy-4-bromobenzene1-苯甲氧基-4-溴苯1-Bromo-4-benzyloxybenzene

Names and Identifiers

Registration numbers

MDL Number

CAS Number

EC Number

PubChem SID

Beilstein Number