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89406-29-1 | Isocyanatosulfuric acid, 2-(3-isoxazolyl)phenyl ester
CAS No: 89406-29-1 Catalog No: AG004NDK MDL No:
Product Description
Catalog Number:
AG004NDK
Chemical Name:
Isocyanatosulfuric acid, 2-(3-isoxazolyl)phenyl ester
CAS Number:
89406-29-1
Molecular Formula:
C10H6N2O5S
Molecular Weight:
266.2300
IUPAC Name:
[2-(1,2-oxazol-3-yl)phenyl] N-(oxomethylidene)sulfamate
InChI:
InChI=1S/C10H6N2O5S/c13-7-11-18(14,15)17-10-4-2-1-3-8(10)9-5-6-16-12-9/h1-6H
InChI Key:
KYWVQSHUVSEPSW-UHFFFAOYSA-N
SMILES:
O=C=NS(=O)(=O)Oc1ccccc1c1nocc1
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.227g/mol
Monoisotopic Mass:
266g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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