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89660-31-1 | 2H-Imidazo[4,5-c]pyridin-2-one, 1,3-dihydro-1-methyl-3-(4-nitrophenyl)-
CAS No: 89660-31-1 Catalog No: AG0044XZ MDL No:
Product Description
Catalog Number:
AG0044XZ
Chemical Name:
2H-Imidazo[4,5-c]pyridin-2-one, 1,3-dihydro-1-methyl-3-(4-nitrophenyl)-
CAS Number:
89660-31-1
Molecular Formula:
C13H10N4O3
Molecular Weight:
270.2435
IUPAC Name:
1-methyl-3-(4-nitrophenyl)imidazo[4,5-c]pyridin-2-one
InChI:
InChI=1S/C13H10N4O3/c1-15-11-6-7-14-8-12(11)16(13(15)18)9-2-4-10(5-3-9)17(19)20/h2-8H,1H3
InChI Key:
HVLFVJWCNXDKPY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)n1c(=O)n(c2c1cncc2)C
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.075g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.248g/mol
Monoisotopic Mass:
270.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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