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Home > Imidazoles > 193696-68-3
193696-68-3 | Benzenesulfonamide,N-(1-methyl-1H-benzimidazol-2-yl)-4-nitro-
CAS No: 193696-68-3 Catalog No: AG007S25 MDL No:
Product Description
Catalog Number:
AG007S25
Chemical Name:
Benzenesulfonamide,N-(1-methyl-1H-benzimidazol-2-yl)-4-nitro-
CAS Number:
193696-68-3
Molecular Formula:
C14H12N4O4S
Molecular Weight:
332.3345
IUPAC Name:
N-(1-methylbenzimidazol-2-yl)-4-nitrobenzenesulfonamide
InChI:
InChI=1S/C14H12N4O4S/c1-17-13-5-3-2-4-12(13)15-14(17)16-23(21,22)11-8-6-10(7-9-11)18(19)20/h2-9H,1H3,(H,15,16)
InChI Key:
BIMBRUOZIUMAJG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1nc2c(n1C)cccc2
Properties
Complexity:
536
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.058g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.334g/mol
Monoisotopic Mass:
332.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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