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1142-97-8 | Benzenesulfonothioic acid, 4-chloro-, S-phenyl ester
CAS No: 1142-97-8 Catalog No: AG000ASI MDL No:
Product Description
Catalog Number:
AG000ASI
Chemical Name:
Benzenesulfonothioic acid, 4-chloro-, S-phenyl ester
CAS Number:
1142-97-8
Molecular Formula:
C12H9ClO2S2
Molecular Weight:
284.7817
IUPAC Name:
1-chloro-4-phenylsulfanylsulfonylbenzene
InChI:
InChI=1S/C12H9ClO2S2/c13-10-6-8-12(9-7-10)17(14,15)16-11-4-2-1-3-5-11/h1-9H
InChI Key:
OZBQHMNNLSUKDP-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)S(=O)(=O)Sc1ccccc1
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.973g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.772g/mol
Monoisotopic Mass:
283.973g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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