CAS 351003-46-8|3-bromo-5-(trifluoromethyl)benzenesulfonyl chloride|3-Bromo-5-(trifluoromethyl)-benzenesulfonyl chloride|3-bromo-5-(trifluoromethyl)benzene-1-sulfonyl chloride|3-Bromo-5-(trifluorome...

General Information

Structure

Molecular Formula

C₇H₃BrClF₃O₂S

Molecular Mass

323.5147296

Exact Mass

321.86777468

Charge

InChI

InChI=1S/C7H3BrClF3O2S/c8-5-1-4(7(10,11)12)2-6(3-5)15(9,13)14/h1-3H

InChIKey

YBUJCZFWJSUTSN-UHFFFAOYSA-N

Canonic Smiles

Brc1cc(cc(c1)S(=O)(=O)Cl)C(F)(F)F

Isomeric Smiles

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

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.56615

LogD (pH = 7.4)

3.56615

Log P

3.56615

Molar Refractivity

53.8487

Polarizability

21.050495

Polar Surface Area

34.14

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

3-bromo-5-(trifluoromethyl)benzenesulfonyl chloride

Synonyms

3-Bromo-5-(trifluoromethyl)-benzenesulfonyl chloride3-Bromo-5-(trifluoromethyl)benzenesulfonyl chloride3-溴-5-(三氟甲基)苯磺酰氯3-Bromo-5-(trifluoromethyl)benzenesulphonyl chloride 97%3-Bromo-5-(chlorosulphonyl)benzotrifluororide3-Bromo-5-(Trifluoromethyl)benzenesulfonyl chloride3-bromo-5-(trifluoromethyl)benzene-1-sulfonyl chloride

IUPAC name

3-bromo-5-(trifluoromethyl)benzene-1-sulfonyl chloride

Names and Identifiers

Registration numbers

CAS Number

PubChem CID

MDL Number

EC Number