CAS 17823-46-0|1-Bromo-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene|1-bromo-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene|4-Bromo-2,3,5,6-tetrafluorobenzotrifluoride|4-Bromoperfluorotoluene 97%|1...

General Information

Structure

Molecular Formula

C₇BrF₇

Molecular Mass

296.9677224

Exact Mass

295.90715954

Charge

InChI

InChI=1S/C7BrF7/c8-2-5(11)3(9)1(7(13,14)15)4(10)6(2)12

InChIKey

DONVNRFILRLHJB-UHFFFAOYSA-N

Canonic Smiles

Fc1c(Br)c(F)c(c(c1F)C(F)(F)F)F

Isomeric Smiles

Fc1c(c(c(c(c1F)Br)F)F)C(F)(F)F

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

4.1906548

LogD (pH = 7.4)

4.1906548

Log P

4.1906548

Molar Refractivity

40.5201

Polarizability

14.8033085

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

1-Bromo-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene4-Bromo-2,3,5,6-tetrafluorobenzotrifluoride4-Bromoperfluorotoluene 97%1-Bromo-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene1-溴-2,3,5,6-四氟-4-(三氟甲基)苯4-溴-2,3,5,6-四氟三氟甲苯4-Bromo-2,3,5,6-tetrafluorobenzotrifluoride

IUPAC Traditional name

1-bromo-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene

IUPAC name

1-bromo-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene

Names and Identifiers

Registration numbers

CAS Number

17823-46-0

MDL Number

MFCD00075240

PubChem SID

24860984162080937