3-Quinolinecarboxylic acid, 4-hydroxy-6-(trifluoromethyl)-, ethyl ester


Chemical Name: 3-Quinolinecarboxylic acid, 4-hydroxy-6-(trifluoromethyl)-, ethyl ester
CAS Number: 26893-12-9
Product Number: AG003QAW(AGN-PC-0O8GO2)
Synonyms:
MDL No: MFCD00173369
Molecular Formula: C13H10F3NO3
Molecular Weight: 285.2186

Identification/Properties


Properties
MP:
336 °C(dec.)
BP:
351.8 °C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
285.222g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
3
Exact Mass:
285.061g/mol
Monoisotopic Mass:
285.061g/mol
Topological Polar Surface Area:
55.4A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
445
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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