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Home > Nitro Compounds > 88796-41-2
88796-41-2 | 1H-Pyrazolo[4,3-b]pyridine-3-carboxamide, 6-nitro-1-phenyl-
CAS No: 88796-41-2 Catalog No: AG004B0P MDL No:
Product Description
Catalog Number:
AG004B0P
Chemical Name:
1H-Pyrazolo[4,3-b]pyridine-3-carboxamide, 6-nitro-1-phenyl-
CAS Number:
88796-41-2
Molecular Formula:
C13H9N5O3
Molecular Weight:
283.2423
IUPAC Name:
6-nitro-1-phenylpyrazolo[4,3-b]pyridine-3-carboxamide
InChI:
InChI=1S/C13H9N5O3/c14-13(19)12-11-10(6-9(7-15-11)18(20)21)17(16-12)8-4-2-1-3-5-8/h1-7H,(H2,14,19)
InChI Key:
HCVVHOZDKVLPFA-UHFFFAOYSA-N
SMILES:
NC(=O)c1nn(c2c1ncc(c2)[N+](=O)[O-])c1ccccc1
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.071g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.247g/mol
Monoisotopic Mass:
283.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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