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Home > Imidazoles > 96515-32-1
96515-32-1 | 3-methyl-1-[2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethyl]-1h-imidazol-3-ium chloride
CAS No: 96515-32-1 Catalog No: AG006QP9 MDL No:
Product Description
Catalog Number:
AG006QP9
Chemical Name:
3-methyl-1-[2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethyl]-1h-imidazol-3-ium chloride
CAS Number:
96515-32-1
Molecular Formula:
C10H14ClN5O2
Molecular Weight:
271.7035
IUPAC Name:
2-methyl-1-[2-(3-methylimidazol-3-ium-1-yl)ethyl]-5-nitroimidazole;chloride
InChI:
InChI=1S/C10H14N5O2.ClH/c1-9-11-7-10(15(16)17)14(9)6-5-13-4-3-12(2)8-13;/h3-4,7-8H,5-6H2,1-2H3;1H/q+1;/p-1
InChI Key:
RDVCAGSIGHOWGJ-UHFFFAOYSA-M
SMILES:
C[n+]1ccn(c1)CCn1c(C)ncc1[N+](=O)[O-].[Cl-]
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.084g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.705g/mol
Monoisotopic Mass:
271.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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