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313481-55-9 | 4-(1H-1,2,3,4-tetrazol-1-yl)benzene-1-sulfonamide
CAS No: 313481-55-9 Catalog No: AG01C1NH MDL No:MFCD01857005
Product Description
Catalog Number:
AG01C1NH
Chemical Name:
4-(1H-1,2,3,4-tetrazol-1-yl)benzene-1-sulfonamide
CAS Number:
313481-55-9
Molecular Formula:
C7H7N5O2S
Molecular Weight:
225.2278
MDL Number:
MFCD01857005
IUPAC Name:
4-(tetrazol-1-yl)benzenesulfonamide
InChI:
InChI=1S/C7H7N5O2S/c8-15(13,14)7-3-1-6(2-4-7)12-5-9-10-11-12/h1-5H,(H2,8,13,14)
InChI Key:
NUCIGEAEJHYEGD-UHFFFAOYSA-N
SMILES:
NS(=O)(=O)c1ccc(cc1)n1cnnn1
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.032g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.226g/mol
Monoisotopic Mass:
225.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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