4-Isoxazolecarboxamide, 5-methyl-N-[4-(trifluoromethyl)phenyl]-


Chemical Name: 4-Isoxazolecarboxamide, 5-methyl-N-[4-(trifluoromethyl)phenyl]-
CAS Number: 75706-12-6
Product Number: AG005IU1(AGN-PC-07A21Q)
Synonyms:
MDL No:
Molecular Formula: C12H9F3N2O2
Molecular Weight: 270.2073

Identification/Properties


Properties
MP:
153-156°C
BP:
289.3°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
270.211g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
270.062g/mol
Monoisotopic Mass:
270.062g/mol
Topological Polar Surface Area:
55.1A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
327
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-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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