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Home Carboxys Ethyl 4-hydroxy-6-(trifluoromethyl)quinoline-3-carboxylate

Ethyl 4-hydroxy-6-(trifluoromethyl)quinoline-3-carboxylate

CAS No.:
26893-12-9
Catalog Number:
AG003QAW
Molecular Formula:
C13H10F3NO3
Molecular Weight:
285.2186
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$50
- +
5g
96%
In Stock USA
United States
$150
- +
10g
96%
In Stock USA
United States
$263
- +
25g
96%
In Stock USA
United States
$525
- +
Product Description
Catalog Number:
AG003QAW
Chemical Name:
Ethyl 4-hydroxy-6-(trifluoromethyl)quinoline-3-carboxylate
CAS Number:
26893-12-9
Molecular Formula:
C13H10F3NO3
Molecular Weight:
285.2186
MDL Number:
MFCD00173369
IUPAC Name:
ethyl 4-oxo-6-(trifluoromethyl)-1H-quinoline-3-carboxylate
InChI:
InChI=1S/C13H10F3NO3/c1-2-20-12(19)9-6-17-10-4-3-7(13(14,15)16)5-8(10)11(9)18/h3-6H,2H2,1H3,(H,17,18)
InChI Key:
SPGPSFWOMJQSDF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc2c(c1O)cc(cc2)C(F)(F)F
Properties
Complexity:
445  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.061g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
285.222g/mol
Monoisotopic Mass:
285.061g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
4-quinolone derivatives: high-affinity ligands at the benzodiazepine site of brain GABA A receptors. synthesis, pharmacology, and pharmacophore modeling. Journal of medicinal chemistry 20060420
Properties