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137352-57-9 | Carbamic acid, [(2-chlorophenyl)sulfonyl]-, phenyl ester (9CI)
CAS No: 137352-57-9 Catalog No: AG001366 MDL No:
Product Description
Catalog Number:
AG001366
Chemical Name:
Carbamic acid, [(2-chlorophenyl)sulfonyl]-, phenyl ester (9CI)
CAS Number:
137352-57-9
Molecular Formula:
C13H10ClNO4S
Molecular Weight:
311.7408
IUPAC Name:
phenyl N-(2-chlorophenyl)sulfonylcarbamate
InChI:
InChI=1S/C13H10ClNO4S/c14-11-8-4-5-9-12(11)20(17,18)15-13(16)19-10-6-2-1-3-7-10/h1-9H,(H,15,16)
InChI Key:
GDCKSUNGGMUNTO-UHFFFAOYSA-N
SMILES:
O=C(NS(=O)(=O)c1ccccc1Cl)Oc1ccccc1
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.002g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.736g/mol
Monoisotopic Mass:
311.002g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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