CAS 402-43-7|4-Bromobenzotrifluoride|1-bromo-4-(trifluoromethyl)benzene|1-bromo-4-(trifluoromethyl)benzene|1-bromo-4-(trifluoromethyl)benzene|1-溴-4-(三氟甲基)苯|4-Bromo-α,α,α-trifluorotoluene|1-...

General Information

Structure

Molecular Formula

C₇H₄BrF₃

Molecular Mass

225.0058696

Exact Mass

223.94484679

Charge

InChI

InChI=1S/C7H4BrF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H

InChIKey

XLQSXGGDTHANLN-UHFFFAOYSA-N

Canonic Smiles

FC(c1ccc(cc1)Br)(F)F

Isomeric Smiles

c1(ccc(cc1)Br)C(F)(F)F

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.6198468

LogD (pH = 7.4)

3.6198468

Log P

3.6198468

Molar Refractivity

39.6545

Polarizability

14.655782

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

4-Bromobenzotrifluoride1-bromo-4-(trifluoromethyl)benzene1-溴-4-(三氟甲基)苯4-Bromo-α,α,α-trifluorotoluene1-Bromo-4-(trifluoromethyl)benzene4-溴-α,α,α-三氟甲苯4-Bromobenzotrifluoride4-溴三氟甲苯4-Bromo-alpha,alpha,alpha-trifluorotoluene4-Bromobenzotrifluoride 99%p-BROMOBENZOTRIFLUORIDE4-(Trifluoromethyl)bromobenzene

IUPAC name

1-bromo-4-(trifluoromethyl)benzene

IUPAC Traditional name

1-bromo-4-(trifluoromethyl)benzene

Names and Identifiers

Registration numbers

PubChem SID

1609721182484925024850051

PubChem CID

67872

CAS Number

402-43-7