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122262-53-7 | 4-Quinolinecarboxylic acid, 6-chloro-2-(4-chlorophenyl)-3-hydroxy-
CAS No: 122262-53-7 Catalog No: AG00170P MDL No:
Product Description
Catalog Number:
AG00170P
Chemical Name:
4-Quinolinecarboxylic acid, 6-chloro-2-(4-chlorophenyl)-3-hydroxy-
CAS Number:
122262-53-7
Molecular Formula:
C16H9Cl2NO3
Molecular Weight:
334.1536
IUPAC Name:
6-chloro-2-(4-chlorophenyl)-3-hydroxyquinoline-4-carboxylic acid
InChI:
InChI=1S/C16H9Cl2NO3/c17-9-3-1-8(2-4-9)14-15(20)13(16(21)22)11-7-10(18)5-6-12(11)19-14/h1-7,20H,(H,21,22)
InChI Key:
ZEBVAUFNBDOLNP-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1nc2ccc(cc2c(c1O)C(=O)O)Cl
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.996g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
334.152g/mol
Monoisotopic Mass:
332.996g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
Literature
| Title | Journal |
|---|---|
| Synthesis and biological evaluation of quinoline salicylic acids as P-selectin antagonists. | Journal of medicinal chemistry 20070111 |
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