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Home > Imidazoles > 111931-81-8
111931-81-8 | Pyridine, 2-(1-methyl-4-nitro-1H-imidazol-2-yl)-
CAS No: 111931-81-8 Catalog No: AG007V9I MDL No:
Product Description
Catalog Number:
AG007V9I
Chemical Name:
Pyridine, 2-(1-methyl-4-nitro-1H-imidazol-2-yl)-
CAS Number:
111931-81-8
Molecular Formula:
C9H8N4O2
Molecular Weight:
204.1854
IUPAC Name:
2-(1-methyl-4-nitroimidazol-2-yl)pyridine
InChI:
InChI=1S/C9H8N4O2/c1-12-6-8(13(14)15)11-9(12)7-4-2-3-5-10-7/h2-6H,1H3
InChI Key:
AJVJGRSKBRVULA-UHFFFAOYSA-N
SMILES:
Cn1cc(nc1c1ccccn1)[N+](=O)[O-]
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.065g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.189g/mol
Monoisotopic Mass:
204.065g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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