Home Sulfos Benzenesulfonyl chloride, 4-[[(4-methylphenyl)sulfonyl]oxy]-

Benzenesulfonyl chloride, 4-[[(4-methylphenyl)sulfonyl]oxy]-

CAS No.:
121347-21-5
Catalog Number:
AG00819M
Molecular Formula:
C13H11ClO5S2
Molecular Weight:
346.8064
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Product Description
Catalog Number:
AG00819M
Chemical Name:
Benzenesulfonyl chloride, 4-[[(4-methylphenyl)sulfonyl]oxy]-
CAS Number:
121347-21-5
Molecular Formula:
C13H11ClO5S2
Molecular Weight:
346.8064
MDL Number:
MFCD11505376
IUPAC Name:
(4-chlorosulfonylphenyl) 4-methylbenzenesulfonate
InChI:
InChI=1S/C13H11ClO5S2/c1-10-2-6-13(7-3-10)21(17,18)19-11-4-8-12(9-5-11)20(14,15)16/h2-9H,1H3
InChI Key:
KVRRDBNRFARYIJ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)S(=O)(=O)Cl
Properties
Complexity:
530  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.974g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.796g/mol
Monoisotopic Mass:
345.974g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
94.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties