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85385-57-5 | Benzenesulfonamide, 4-(3-ethyl-3-oxido-2-triazenyl)-
CAS No: 85385-57-5 Catalog No: AG008FFT MDL No:
Product Description
Catalog Number:
AG008FFT
Chemical Name:
Benzenesulfonamide, 4-(3-ethyl-3-oxido-2-triazenyl)-
CAS Number:
85385-57-5
Molecular Formula:
C8H12N4O3S
Molecular Weight:
244.2709
IUPAC Name:
ethyl-oxido-[(4-sulfamoylphenyl)hydrazinylidene]azanium
InChI:
InChI=1S/C8H12N4O3S/c1-2-12(13)11-10-7-3-5-8(6-4-7)16(9,14)15/h3-6,10H,2H2,1H3,(H2,9,14,15)
InChI Key:
MLOLNWAOOIOZPV-UHFFFAOYSA-N
SMILES:
CC[N+](=NNc1ccc(cc1)S(=O)(=O)N)[O-]
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.063g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.269g/mol
Monoisotopic Mass:
244.063g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.7
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