5-Pyrimidinecarboxylic acid, 2-amino-4-(trifluoromethyl)-, ethyl ester


Chemical Name: 5-Pyrimidinecarboxylic acid, 2-amino-4-(trifluoromethyl)-, ethyl ester
CAS Number: 149771-09-5
Product Number: AG001M0O(AGN-PC-0KK8BP)
Synonyms:
MDL No:
Molecular Formula: C8H8F3N3O2
Molecular Weight: 235.1632

Identification/Properties


Properties
MP:
179 °C
BP:
366.7°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
235.166g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
3
Exact Mass:
235.057g/mol
Monoisotopic Mass:
235.057g/mol
Topological Polar Surface Area:
78.1A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
259
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:
H315-H319-H335
Precautionary Statements:
P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P313-P337+P313-P362-P403+P233-P405-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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