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88522-53-6 | Benzenesulfonic acid, 2,5-dichloro-, 4-chlorophenyl ester
CAS No: 88522-53-6 Catalog No: AG0048FW MDL No:
Product Description
Catalog Number:
AG0048FW
Chemical Name:
Benzenesulfonic acid, 2,5-dichloro-, 4-chlorophenyl ester
CAS Number:
88522-53-6
Molecular Formula:
C12H7Cl3O3S
Molecular Weight:
337.6062
IUPAC Name:
(4-chlorophenyl) 2,5-dichlorobenzenesulfonate
InChI:
InChI=1S/C12H7Cl3O3S/c13-8-1-4-10(5-2-8)18-19(16,17)12-7-9(14)3-6-11(12)15/h1-7H
InChI Key:
MJWOGFWWECHPPM-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)OS(=O)(=O)c1cc(Cl)ccc1Cl
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.918g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.595g/mol
Monoisotopic Mass:
335.918g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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