1H-Pyrazole-4-carboxylic acid, 3-(trifluoromethyl)-


Chemical Name: 1H-Pyrazole-4-carboxylic acid, 3-(trifluoromethyl)-
CAS Number: 543739-84-0
Product Number: AG000QNF(AGN-PC-0OC1Q0)
Synonyms:
MDL No:
Molecular Formula: C5H3F3N2O2
Molecular Weight: 180.0847

Identification/Properties


Properties
MP:
248 - 250˚C
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
180.086g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
1
Exact Mass:
180.015g/mol
Monoisotopic Mass:
180.015g/mol
Topological Polar Surface Area:
66A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
194
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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