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Home > Imidazoles > 91224-49-6
91224-49-6 | 1H-Benzimidazole, 2-methyl-6-(methylsulfonyl)-4-nitro-
CAS No: 91224-49-6 Catalog No: AG006DGR MDL No:
Product Description
Catalog Number:
AG006DGR
Chemical Name:
1H-Benzimidazole, 2-methyl-6-(methylsulfonyl)-4-nitro-
CAS Number:
91224-49-6
Molecular Formula:
C9H9N3O4S
Molecular Weight:
255.2505
IUPAC Name:
2-methyl-6-methylsulfonyl-4-nitro-1H-benzimidazole
InChI:
InChI=1S/C9H9N3O4S/c1-5-10-7-3-6(17(2,15)16)4-8(12(13)14)9(7)11-5/h3-4H,1-2H3,(H,10,11)
InChI Key:
FJAMBSRKFPYAGJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc2c1nc([nH]2)C)S(=O)(=O)C
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.031g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.248g/mol
Monoisotopic Mass:
255.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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