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Home > Imidazoles > 896114-82-2
896114-82-2 | 1H-Imidazo[4,5-b]pyridine, 6-nitro-2-phenyl-
CAS No: 896114-82-2 Catalog No: AG003YPK MDL No:
Product Description
Catalog Number:
AG003YPK
Chemical Name:
1H-Imidazo[4,5-b]pyridine, 6-nitro-2-phenyl-
CAS Number:
896114-82-2
Molecular Formula:
C12H8N4O2
Molecular Weight:
240.2175
IUPAC Name:
6-nitro-2-phenyl-1H-imidazo[4,5-b]pyridine
InChI:
InChI=1S/C12H8N4O2/c17-16(18)9-6-10-12(13-7-9)15-11(14-10)8-4-2-1-3-5-8/h1-7H,(H,13,14,15)
InChI Key:
WVRSXPFJEQAQKU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnc2c(c1)[nH]c(n2)c1ccccc1
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.065g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.222g/mol
Monoisotopic Mass:
240.065g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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