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83790-63-0 | Benzenesulfonyl isocyanate, 2-phenoxy-
CAS No: 83790-63-0 Catalog No: AG0055PW MDL No:
Product Description
Catalog Number:
AG0055PW
Chemical Name:
Benzenesulfonyl isocyanate, 2-phenoxy-
CAS Number:
83790-63-0
Molecular Formula:
C13H9NO4S
Molecular Weight:
275.2799
IUPAC Name:
N-(oxomethylidene)-2-phenoxybenzenesulfonamide
InChI:
InChI=1S/C13H9NO4S/c15-10-14-19(16,17)13-9-5-4-8-12(13)18-11-6-2-1-3-7-11/h1-9H
InChI Key:
PTDXBDWPAUQGKV-UHFFFAOYSA-N
SMILES:
O=C=NS(=O)(=O)c1ccccc1Oc1ccccc1
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.025g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.278g/mol
Monoisotopic Mass:
275.025g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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