200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 113016-86-7
113016-86-7 | 1H-Benzimidazole, 2-methyl-1-[(4-methylphenyl)sulfonyl]-6-nitro-
CAS No: 113016-86-7 Catalog No: AG007RHT MDL No:
Product Description
Catalog Number:
AG007RHT
Chemical Name:
1H-Benzimidazole, 2-methyl-1-[(4-methylphenyl)sulfonyl]-6-nitro-
CAS Number:
113016-86-7
Molecular Formula:
C15H13N3O4S
Molecular Weight:
331.3464
IUPAC Name:
2-methyl-1-(4-methylphenyl)sulfonyl-6-nitrobenzimidazole
InChI:
InChI=1S/C15H13N3O4S/c1-10-3-6-13(7-4-10)23(21,22)17-11(2)16-14-8-5-12(18(19)20)9-15(14)17/h3-9H,1-2H3
InChI Key:
UGFDGJWRDDRDBV-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)n1c(C)nc2c1cc(cc2)[N+](=O)[O-]
Properties
Complexity:
548
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.063g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.346g/mol
Monoisotopic Mass:
331.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.