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15733-85-4 | 2-Quinolinecarboxylic acid, 8-nitro-
CAS No: 15733-85-4 Catalog No: AG001PEJ MDL No:
Product Description
Catalog Number:
AG001PEJ
Chemical Name:
2-Quinolinecarboxylic acid, 8-nitro-
CAS Number:
15733-85-4
Molecular Formula:
C10H6N2O4
Molecular Weight:
218.1656
IUPAC Name:
8-nitroquinoline-2-carboxylic acid
InChI:
InChI=1S/C10H6N2O4/c13-10(14)7-5-4-6-2-1-3-8(12(15)16)9(6)11-7/h1-5H,(H,13,14)
InChI Key:
YKNRUBPOGQLIKS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc2c1nc(cc2)C(=O)O
EC Number:
239-826-3
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.033g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.168g/mol
Monoisotopic Mass:
218.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Discovery of a new antileishmanial hit in 8-nitroquinoline series. | European journal of medicinal chemistry 20120801 |
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