CAS 85952-30-3|(3,4-dichlorophenyl)methanesulfonyl chloride|(3,4-Dichlorophenyl)methanesulphonyl chloride|3,4-Dichlorobenzylsulphonyl chloride tech|(3,4-Dichloro-phenyl)-methanesulfonyl chloride|(3,...

General Information

Structure

Molecular Formula

C₇H₅Cl₃O₂S

Molecular Mass

259.5374

Exact Mass

257.90758344

Charge

InChI

InChI=1S/C7H5Cl3O2S/c8-6-2-1-5(3-7(6)9)4-13(10,11)12/h1-3H,4H2

InChIKey

DRYGYFAFCNDLEJ-UHFFFAOYSA-N

Canonic Smiles

Clc1ccc(cc1Cl)CS(=O)(=O)Cl

Isomeric Smiles

S(=O)(=O)(Cc1cc(c(cc1)Cl)Cl)Cl

Calculated Properties

JChem

Acid pKa

18.338913

H Acceptors

H Donor

LogD (pH = 5.5)

2.8897743

LogD (pH = 7.4)

2.8897743

Log P

2.8897743

Molar Refractivity

54.4492

Polarizability

22.196173

Polar Surface Area

34.14

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

(3,4-dichlorophenyl)methanesulfonyl chloride(3,4-Dichlorophenyl)methanesulphonyl chloride3,4-Dichlorobenzylsulphonyl chloride tech(3,4-Dichloro-phenyl)-methanesulfonyl chloride3,4-Dichlorobenzylsulfonyl chloride(3,4-Dichlorophenyl)methanesulfonyl chloride3,4-Dichlorobenzenemethanesulfonyl chloride3,4-二氯-α-甲苯磺酰氯3,4-二氯苯甲烷磺酰氯(3,4-二氯苯基)甲烷磺酰氯3,4-二氯苯基甲磺酰氯3,4-Dichloro-α-toluenesulfonyl chloride

IUPAC Traditional name

(3,4-dichlorophenyl)methanesulfonyl chloride

IUPAC name

(3,4-dichlorophenyl)methanesulfonyl chloride

Names and Identifiers

Registration numbers

CAS Number

85952-30-3

MDL Number

MFCD01631929

PubChem SID

24885439160982260