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88-49-3

88-49-3 | Benzenesulfonylchloride, 4-chloro-2,5-dimethyl-

CAS No: 88-49-3 Catalog No: AG0049YC MDL No:MFCD00044017

Product Description

Catalog Number:
AG0049YC
Chemical Name:
Benzenesulfonylchloride, 4-chloro-2,5-dimethyl-
CAS Number:
88-49-3
Molecular Formula:
C8H8Cl2O2S
Molecular Weight:
239.1189
MDL Number:
MFCD00044017
IUPAC Name:
4-chloro-2,5-dimethylbenzenesulfonyl chloride
InChI:
InChI=1S/C8H8Cl2O2S/c1-5-4-8(13(10,11)12)6(2)3-7(5)9/h3-4H,1-2H3
InChI Key:
JBYZPUBAISWVDI-UHFFFAOYSA-N
SMILES:
Cc1cc(c(cc1Cl)C)S(=O)(=O)Cl
EC Number:
201-835-5

Properties

Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.962g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.11g/mol
Monoisotopic Mass:
237.962g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

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