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14432-11-2 | 3H-Imidazo[4,5-b]pyridine, 7-nitro-, 4-oxide
CAS No: 14432-11-2 Catalog No: AG001JBY MDL No:
Product Description
Catalog Number:
AG001JBY
Chemical Name:
3H-Imidazo[4,5-b]pyridine, 7-nitro-, 4-oxide
CAS Number:
14432-11-2
Molecular Formula:
C6H4N4O3
Molecular Weight:
180.1210
IUPAC Name:
4-hydroxy-7-nitroimidazo[4,5-b]pyridine
InChI:
InChI=1S/C6H4N4O3/c11-9-2-1-4(10(12)13)5-6(9)8-3-7-5/h1-3,11H
InChI Key:
XYOMJEGDEBBHAI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc[n+](c2c1nc[nH]2)[O-]
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.028g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.123g/mol
Monoisotopic Mass:
180.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
96.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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