3-Quinolinecarboxylic acid, 4-hydroxy-8-(trifluoromethyl)-


Chemical Name: 3-Quinolinecarboxylic acid, 4-hydroxy-8-(trifluoromethyl)-
CAS Number: 23779-95-5
Product Number: AG003LIU(AGN-PC-0O84KB)
Synonyms:
MDL No: MFCD00047603
Molecular Formula: C11H6F3NO3
Molecular Weight: 257.1654

Identification/Properties


Properties
MP:
292℃(Solv: acetone (67-64-1))
BP:
358.8°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
257.168g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
1
Exact Mass:
257.03g/mol
Monoisotopic Mass:
257.03g/mol
Topological Polar Surface Area:
66.4A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
416
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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