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Home > Nitro Compounds > 84884-27-5
84884-27-5 | 3-Quinolinecarbonitrile, 1,2-dihydro-4-hydroxy-6-nitro-2-oxo-
CAS No: 84884-27-5 Catalog No: AG004M9D MDL No:MFCD30344985
Product Description
Catalog Number:
AG004M9D
Chemical Name:
3-Quinolinecarbonitrile, 1,2-dihydro-4-hydroxy-6-nitro-2-oxo-
CAS Number:
84884-27-5
Molecular Formula:
C10H5N3O4
Molecular Weight:
231.1644
MDL Number:
MFCD30344985
IUPAC Name:
4-hydroxy-6-nitro-2-oxo-1H-quinoline-3-carbonitrile
InChI:
InChI=1S/C10H5N3O4/c11-4-7-9(14)6-3-5(13(16)17)1-2-8(6)12-10(7)15/h1-3H,(H2,12,14,15)
InChI Key:
HFXKJHGSGAHNDQ-UHFFFAOYSA-N
SMILES:
N#Cc1c(=O)[nH]c2c(c1O)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.028g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.167g/mol
Monoisotopic Mass:
231.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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