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68291-97-4

68291-97-4 | 1,2-Benzisoxazole-3-methanesulfonamide

CAS No: 68291-97-4 Catalog No: AG00IBTF MDL No:MFCD00865316

Product Description

Catalog Number:
AG00IBTF
Chemical Name:
1,2-Benzisoxazole-3-methanesulfonamide
CAS Number:
68291-97-4
Molecular Formula:
C8H8N2O3S
Molecular Weight:
212.2257
MDL Number:
MFCD00865316
IUPAC Name:
1,2-benzoxazol-3-ylmethanesulfonamide
InChI:
InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
InChI Key:
UBQNRHZMVUUOMG-UHFFFAOYSA-N
SMILES:
NS(=O)(=O)Cc1noc2c1cccc2
EC Number:
614-395-8
UNII:
459384H98V

Properties

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

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