CAS 39234-86-1|3,5-Bis(trifluoromethyl)benzenesulfonyl chloride|3,5-bis(trifluoromethyl)benzene-1-sulfonyl chloride|3,5-bis(trifluoromethyl)benzenesulfonyl chloride|3,5-di(trifluoromethyl)benzene-1-...

General Information

Structure

Molecular Formula

C₈H₃ClF₆O₂S

Molecular Mass

312.6166392

Exact Mass

311.94464734

Charge

InChI

InChI=1S/C8H3ClF6O2S/c9-18(16,17)6-2-4(7(10,11)12)1-5(3-6)8(13,14)15/h1-3H

InChIKey

BTRCVKADYDVSLI-UHFFFAOYSA-N

Canonic Smiles

FC(c1cc(cc(c1)S(=O)(=O)Cl)C(F)(F)F)(F)F

Isomeric Smiles

c1(cc(cc(c1)S(=O)(=O)Cl)C(F)(F)F)C(F)(F)F

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.6752458

LogD (pH = 7.4)

3.6752458

Log P

3.6752458

Molar Refractivity

52.1996

Polarizability

19.579166

Polar Surface Area

34.14

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

3,5-Bis(trifluoromethyl)benzenesulfonyl chloride3,5-di(trifluoromethyl)benzene-1-sulfonyl chloride3,5-Bis(trifluoromethyl)benzenesulfonyl chloride3,5-双(三氟甲基)苯磺酰氯3,5-Bis(trifluoromethyl)benzenesulphonyl chloride 97%3,5-Ditrifluoromethylbenzenesulfonyl chloride3,5-Bis(trifluoromethyl)benzene-1-sulfonyl chloride

IUPAC name

3,5-bis(trifluoromethyl)benzene-1-sulfonyl chloride

IUPAC Traditional name

3,5-bis(trifluoromethyl)benzenesulfonyl chloride

Names and Identifiers

Registration numbers

EC Number

254-371-0

Beilstein Number

3621218

MDL Number

MFCD00014725