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85385-52-0 | Benzenesulfonamide, 4-(3-methyl-3-oxido-2-triazenyl)-
CAS No: 85385-52-0 Catalog No: AG004OXF MDL No:
Product Description
Catalog Number:
AG004OXF
Chemical Name:
Benzenesulfonamide, 4-(3-methyl-3-oxido-2-triazenyl)-
CAS Number:
85385-52-0
Molecular Formula:
C7H10N4O3S
Molecular Weight:
230.2443
IUPAC Name:
methyl-oxido-[(4-sulfamoylphenyl)hydrazinylidene]azanium
InChI:
InChI=1S/C7H10N4O3S/c1-11(12)10-9-6-2-4-7(5-3-6)15(8,13)14/h2-5,9H,1H3,(H2,8,13,14)
InChI Key:
ZQKMEPFSEOGDSD-UHFFFAOYSA-N
SMILES:
NS(=O)(=O)c1ccc(cc1)NN=[N+](C)[O-]
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.047g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.242g/mol
Monoisotopic Mass:
230.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.4
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