5-Pyrimidinecarboxylic acid, 1,4-dihydro-4-oxo-2-(trifluoromethyl)-, ethylester


Chemical Name: 5-Pyrimidinecarboxylic acid, 1,4-dihydro-4-oxo-2-(trifluoromethyl)-, ethylester
CAS Number: 343-67-9
Product Number: AG003QAS(AGN-PC-0R9QUA)
Synonyms:
MDL No:
Molecular Formula: C8H7F3N2O3
Molecular Weight: 236.1480

Identification/Properties


Properties
MP:
315-316℃
BP:
220.8°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
236.15g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
3
Exact Mass:
236.041g/mol
Monoisotopic Mass:
236.041g/mol
Topological Polar Surface Area:
67.8A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
385
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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