CAS 1585-07-5|1-bromo-4-ethylbenzene|1-bromo-4-ethylbenzene|1-Bromo-4-ethylbenzene|1-Bromo-4-ethylbenzene|4-Ethylbromobenzene|1-Bromo-4-ethylbenzene|1-溴-4-乙基苯|p-Bromoethylbenzene|p-Ethylphenyl B...

General Information

Structure

Molecular Formula

C₈H₉Br

Molecular Mass

185.06106

Exact Mass

183.98876229

Charge

InChI

InChI=1S/C8H9Br/c1-2-7-3-5-8(9)6-4-7/h3-6H,2H2,1H3

InChIKey

URFPRAHGGBYNPW-UHFFFAOYSA-N

Canonic Smiles

CCc1ccc(cc1)Br

Isomeric Smiles

c1c(ccc(c1)CC)Br

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.6999886

LogD (pH = 7.4)

3.6999886

Log P

3.6999886

Molar Refractivity

43.323

Polarizability

16.654388

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

1-Bromo-4-ethylbenzene4-Ethylbromobenzene1-Bromo-4-ethylbenzene1-溴-4-乙基苯1-Bromo-4-ethylbenzene4-Ethyl-1-bromobenzene4-Ethylphenyl Bromide4-Ethylbromobenzenep-Ethylbromobenzene4-BromoethylbenzeneNSC 60144p-Bromoethylbenzenep-Ethylphenyl Bromidep-BROMOETHYLBENZENE

IUPAC Traditional name

1-bromo-4-ethylbenzene

IUPAC name

1-bromo-4-ethylbenzene

Names and Identifiers

Registration numbers

CAS Number

1585-07-5

MDL Number

MFCD00000111

EC Number

216-439-8