200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 96515-29-6
96515-29-6 | 1-[2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethyl]pyridinium chloride
CAS No: 96515-29-6 Catalog No: AG005TVP MDL No:
Product Description
Catalog Number:
AG005TVP
Chemical Name:
1-[2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethyl]pyridinium chloride
CAS Number:
96515-29-6
Molecular Formula:
C11H13ClN4O2
Molecular Weight:
268.6995
IUPAC Name:
1-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]pyridin-1-ium;chloride
InChI:
InChI=1S/C11H13N4O2.ClH/c1-10-12-9-11(15(16)17)14(10)8-7-13-5-3-2-4-6-13;/h2-6,9H,7-8H2,1H3;1H/q+1;/p-1
InChI Key:
QBZVRJMCTPUHCG-UHFFFAOYSA-M
SMILES:
[O-][N+](=O)c1cnc(n1CC[n+]1ccccc1)C.[Cl-]
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.073g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.701g/mol
Monoisotopic Mass:
268.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.