1,2-Benzisoxazole-3-methanesulfonamide


Chemical Name: 1,2-Benzisoxazole-3-methanesulfonamide
CAS Number: 68291-97-4
Product Number: AG00IBTF(AGN-PC-07A28O)
Synonyms:
MDL No: MFCD00865316
Molecular Formula: C8H8N2O3S
Molecular Weight: 212.2257

Identification/Properties


Computed Properties
Molecular Weight:
212.223g/mol
XLogP3:
0.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
212.026g/mol
Monoisotopic Mass:
212.026g/mol
Topological Polar Surface Area:
94.6A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
298
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H312-H332
Precautionary Statements:
P280
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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