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Home > Nitro Compounds > 88606-31-9
88606-31-9 | 2(1H)-Pyridinone, 3-hydroxy-6-[(5-nitro-8-quinolinyl)azo]-
CAS No: 88606-31-9 Catalog No: AG004AI7 MDL No:
Product Description
Catalog Number:
AG004AI7
Chemical Name:
2(1H)-Pyridinone, 3-hydroxy-6-[(5-nitro-8-quinolinyl)azo]-
CAS Number:
88606-31-9
Molecular Formula:
C14H9N5O4
Molecular Weight:
311.2524
IUPAC Name:
3-hydroxy-6-[(5-nitroquinolin-8-yl)diazenyl]-1H-pyridin-2-one
InChI:
InChI=1S/C14H9N5O4/c20-11-5-6-12(16-14(11)21)18-17-9-3-4-10(19(22)23)8-2-1-7-15-13(8)9/h1-7,20H,(H,16,21)
InChI Key:
DAYODAZBJNEIOX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c2c1cccn2)N=Nc1ccc(c(=O)[nH]1)O
Properties
Complexity:
595
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.065g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
311.257g/mol
Monoisotopic Mass:
311.065g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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