5-Pyrimidinecarboxylic acid, 2-(trifluoromethyl)-, ethyl ester


Chemical Name: 5-Pyrimidinecarboxylic acid, 2-(trifluoromethyl)-, ethyl ester
CAS Number: 304693-64-9
Product Number: AG00308N(AGN-PC-03HYPK)
Synonyms:
MDL No:
Molecular Formula: C8H7F3N2O2
Molecular Weight: 220.1486

Identification/Properties


Properties
MP:
65℃
BP:
194.365°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
220.151g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
3
Exact Mass:
220.046g/mol
Monoisotopic Mass:
220.046g/mol
Topological Polar Surface Area:
52.1A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
224
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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