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116-47-2 | Benzenesulfonamide, 4-amino-N-cyano-
CAS No: 116-47-2 Catalog No: AG000BCN MDL No:
Product Description
Catalog Number:
AG000BCN
Chemical Name:
Benzenesulfonamide, 4-amino-N-cyano-
CAS Number:
116-47-2
Molecular Formula:
C7H7N3O2S
Molecular Weight:
197.2144
IUPAC Name:
4-amino-N-cyanobenzenesulfonamide
InChI:
InChI=1S/C7H7N3O2S/c8-5-10-13(11,12)7-3-1-6(9)2-4-7/h1-4,10H,9H2
InChI Key:
NXBPVAODVMAXNK-UHFFFAOYSA-N
SMILES:
N#CNS(=O)(=O)c1ccc(cc1)N
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.026g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.212g/mol
Monoisotopic Mass:
197.026g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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