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174077-76-0

174077-76-0 | 1H-Benzotriazole-7-sulfonamide

CAS No: 174077-76-0 Catalog No: AG001ZFN MDL No:

Product Description

Catalog Number:
AG001ZFN
Chemical Name:
1H-Benzotriazole-7-sulfonamide
CAS Number:
174077-76-0
Molecular Formula:
C6H6N4O2S
Molecular Weight:
198.2024
IUPAC Name:
2H-benzotriazole-4-sulfonamide
InChI:
InChI=1S/C6H6N4O2S/c7-13(11,12)5-3-1-2-4-6(5)9-10-8-4/h1-3H,(H2,7,11,12)(H,8,9,10)
InChI Key:
XNCKHHMKNFNDQZ-UHFFFAOYSA-N
SMILES:
NS(=O)(=O)c1cccc2c1[nH]nn2

Properties

Complexity:
286  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.021g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
198.2g/mol
Monoisotopic Mass:
198.021g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  

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