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Home > Imidazoles > 139957-18-9
139957-18-9 | 2H-Imidazo[4,5-b]pyridinium, 2-imino-1-methyl-6-phenyl-
CAS No: 139957-18-9 Catalog No: AG001BUG MDL No:
Product Description
Catalog Number:
AG001BUG
Chemical Name:
2H-Imidazo[4,5-b]pyridinium, 2-imino-1-methyl-6-phenyl-
CAS Number:
139957-18-9
Molecular Formula:
C13H11N4+
Molecular Weight:
223.2532
IUPAC Name:
1-methyl-6-phenylimidazo[4,5-b]pyridin-1-ium-2-imine
InChI:
InChI=1S/C13H11N4/c1-17-11-7-10(9-5-3-2-4-6-9)8-15-12(11)16-13(17)14/h2-8,14H,1H3/q+1
InChI Key:
FFCOGQACCWGKLD-UHFFFAOYSA-N
SMILES:
C[N+]1=c2cc(cnc2=NC1=N)c1ccccc1
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.098g/mol
Formal Charge:
1
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.259g/mol
Monoisotopic Mass:
223.098g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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