CAS 576-23-8|3-Bromo-o-xylene|3-bromo-1,2-dimethylbenzene|2,3-Dimethylbromobenzene|1-bromo-2,3-dimethylbenzene|1-Bromo-2,3-dimethylbenzene|1-BROMO-2,3-DIMETHYLBENZENE|1-Bromo-2,3-dimethylbenzene|1-...

General Information

Structure

Molecular Formula

C₈H₉Br

Molecular Mass

185.06106

Exact Mass

183.98876229

Charge

InChI

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

InChIKey

WLPXNBYWDDYJTN-UHFFFAOYSA-N

Canonic Smiles

Cc1c(C)cccc1Br

Isomeric Smiles

Brc1cccc(c1C)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.7688413

LogD (pH = 7.4)

3.7688413

Log P

3.7688413

Molar Refractivity

43.7632

Polarizability

16.584223

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

3-Bromo-o-xylene2,3-Dimethylbromobenzene1-Bromo-2,3-dimethylbenzene1-BROMO-2,3-DIMETHYLBENZENE1-Bromo-2,3-dimethylbenzene1-溴-2,3-二甲苯3-溴邻二甲苯3-溴邻二甲苯3-Bromo-o-xylene2,3-Dimethylbromobenzene3-Bromo-1,2-dimethylbenzene3-Bromo-1,2-dimethylbenzene

IUPAC Traditional name

3-bromo-1,2-dimethylbenzene

IUPAC name

1-bromo-2,3-dimethylbenzene

Names and Identifiers

Registration numbers

MDL Number

MFCD00000069

CAS Number

576-23-8

Beilstein Number

2077312