ethyl 4-methyl-2-(trifluoromethyl)pyrimidine-5-carboxylate


Chemical Name: ethyl 4-methyl-2-(trifluoromethyl)pyrimidine-5-carboxylate
CAS Number: 306960-67-8
Product Number: AG0030YU(AGN-PC-0N7H77)
Synonyms:
MDL No:
Molecular Formula: C9H9F3N2O2
Molecular Weight: 234.1752

Identification/Properties


Properties
BP:
211°C at 760 mmHg
Computed Properties
Molecular Weight:
234.178g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
3
Exact Mass:
234.062g/mol
Monoisotopic Mass:
234.062g/mol
Topological Polar Surface Area:
52.1A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
258
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#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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