CAS 1514-11-0|4-Methoxy-3-(trifluoromethyl)bromobenzene|4-bromo-1-methoxy-2-(trifluoromethyl)benzene|4-bromo-1-methoxy-2-(trifluoromethyl)benzene|4-Bromo-2-(trifluoromethyl)anisole|5-Bromo-2-methoxy...

General Information

Structure

Molecular Formula

C₈H₆BrF₃O

Molecular Mass

255.0318496

Exact Mass

253.95541147

Charge

InChI

InChI=1S/C8H6BrF3O/c1-13-7-3-2-5(9)4-6(7)8(10,11)12/h2-4H,1H3

InChIKey

XTFPWZDSCKENBJ-UHFFFAOYSA-N

Canonic Smiles

COc1ccc(cc1C(F)(F)F)Br

Isomeric Smiles

c1c(c(cc(c1)Br)C(F)(F)F)OC

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.4621756

LogD (pH = 7.4)

3.4621756

Log P

3.4621756

Molar Refractivity

46.1177

Polarizability

17.206554

Polar Surface Area

9.23

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

4-Methoxy-3-(trifluoromethyl)bromobenzene5-Bromo-2-methoxybenzotrifluoride4-Bromo-2-(trifluoromethyl)anisole4-Bromo-2-(trifluoromethyl)anisole4-溴-2-(三氟甲基)苯甲醚1-Bromo-4-methoxy-3-(trifluoromethyl)benzene3-Bromo-6-methoxybenzotrifluoride

IUPAC Traditional name

4-bromo-1-methoxy-2-(trifluoromethyl)benzene

IUPAC name

4-bromo-1-methoxy-2-(trifluoromethyl)benzene

Names and Identifiers

Registration numbers

Beilstein Number

2525206

CAS Number

1514-11-0

MDL Number

MFCD01631579