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88522-56-9 | Benzenesulfonothioic acid, 2,5-dichloro-, S-phenyl ester
CAS No: 88522-56-9 Catalog No: AG004821 MDL No:
Product Description
Catalog Number:
AG004821
Chemical Name:
Benzenesulfonothioic acid, 2,5-dichloro-, S-phenyl ester
CAS Number:
88522-56-9
Molecular Formula:
C12H8Cl2O2S2
Molecular Weight:
319.2267
IUPAC Name:
1,4-dichloro-2-phenylsulfanylsulfonylbenzene
InChI:
InChI=1S/C12H8Cl2O2S2/c13-9-6-7-11(14)12(8-9)18(15,16)17-10-4-2-1-3-5-10/h1-8H
InChI Key:
YZUOHPVTKINPCO-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)S(=O)(=O)Sc1ccccc1)Cl
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.934g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.214g/mol
Monoisotopic Mass:
317.934g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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