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89406-31-5 | Isocyanatosulfuric acid, 2-(1,3,4-oxadiazol-2-yl)phenyl ester
CAS No: 89406-31-5 Catalog No: AG003VWO MDL No:
Product Description
Catalog Number:
AG003VWO
Chemical Name:
Isocyanatosulfuric acid, 2-(1,3,4-oxadiazol-2-yl)phenyl ester
CAS Number:
89406-31-5
Molecular Formula:
C9H5N3O5S
Molecular Weight:
267.2181
IUPAC Name:
[2-(1,3,4-oxadiazol-2-yl)phenyl] N-(oxomethylidene)sulfamate
InChI:
InChI=1S/C9H5N3O5S/c13-5-11-18(14,15)17-8-4-2-1-3-7(8)9-12-10-6-16-9/h1-4,6H
InChI Key:
JYSKZNJUNQPJCP-UHFFFAOYSA-N
SMILES:
O=C=NS(=O)(=O)Oc1ccccc1c1nnco1
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.995g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.215g/mol
Monoisotopic Mass:
266.995g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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