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85385-53-1 | Benzenesulfonamide, 4-(3-oxido-3-propyl-2-triazenyl)-
CAS No: 85385-53-1 Catalog No: AG004U1N MDL No:
Product Description
Catalog Number:
AG004U1N
Chemical Name:
Benzenesulfonamide, 4-(3-oxido-3-propyl-2-triazenyl)-
CAS Number:
85385-53-1
Molecular Formula:
C9H14N4O3S
Molecular Weight:
258.2975
IUPAC Name:
oxido-propyl-[(4-sulfamoylphenyl)hydrazinylidene]azanium
InChI:
InChI=1S/C9H14N4O3S/c1-2-7-13(14)12-11-8-3-5-9(6-4-8)17(10,15)16/h3-6,11H,2,7H2,1H3,(H2,10,15,16)
InChI Key:
FLLWLITZRFBICT-UHFFFAOYSA-N
SMILES:
CCC[N+](=NNc1ccc(cc1)S(=O)(=O)N)[O-]
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.296g/mol
Monoisotopic Mass:
258.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
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