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169216-68-6 | 3-Quinolinecarboxylic acid, 2-chloro-4-hydroxy-
CAS No: 169216-68-6 Catalog No: AG001YKS MDL No:
Product Description
Catalog Number:
AG001YKS
Chemical Name:
3-Quinolinecarboxylic acid, 2-chloro-4-hydroxy-
CAS Number:
169216-68-6
Molecular Formula:
C10H6ClNO3
Molecular Weight:
223.6125
IUPAC Name:
2-chloro-4-oxo-1H-quinoline-3-carboxylic acid
InChI:
InChI=1S/C10H6ClNO3/c11-9-7(10(14)15)8(13)5-3-1-2-4-6(5)12-9/h1-4H,(H,12,13)(H,14,15)
InChI Key:
FAUALAWLNFHAAY-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(Cl)nc2c(c1O)cccc2
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.004g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
223.612g/mol
Monoisotopic Mass:
223.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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