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13659-18-2 | Benzenesulfonic acid, 3-chlorophenyl ester
CAS No: 13659-18-2 Catalog No: AG00124R MDL No:
Product Description
Catalog Number:
AG00124R
Chemical Name:
Benzenesulfonic acid, 3-chlorophenyl ester
CAS Number:
13659-18-2
Molecular Formula:
C12H9ClO3S
Molecular Weight:
268.7161
IUPAC Name:
phenyl 3-chlorobenzenesulfonate
InChI:
InChI=1S/C12H9ClO3S/c13-10-5-4-8-12(9-10)17(14,15)16-11-6-2-1-3-7-11/h1-9H
InChI Key:
GVCQCUCEMLXYFA-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)OS(=O)(=O)c1ccccc1
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.996g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.711g/mol
Monoisotopic Mass:
267.996g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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