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18892-39-2 | 5,8-Quinolinedione, 6-amino-7-chloro-
CAS No: 18892-39-2 Catalog No: AG002HJB MDL No:
Product Description
Catalog Number:
AG002HJB
Chemical Name:
5,8-Quinolinedione, 6-amino-7-chloro-
CAS Number:
18892-39-2
Molecular Formula:
C9H5ClN2O2
Molecular Weight:
208.6012
IUPAC Name:
6-amino-7-chloroquinoline-5,8-dione
InChI:
InChI=1S/C9H5ClN2O2/c10-5-6(11)8(13)4-2-1-3-12-7(4)9(5)14/h1-3H,11H2
InChI Key:
KWGIFJNXSKZGKI-UHFFFAOYSA-N
SMILES:
NC1=C(Cl)C(=O)c2c(C1=O)cccn2
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.004g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.601g/mol
Monoisotopic Mass:
208.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
73A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| The anti-cancer, anti-inflammatory and tuberculostatic activities of a series of 6,7-substituted-5,8-quinolinequinones. | Bioorganic & medicinal chemistry 20100501 |
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