Methyl 5-(Trifluoromethyl)pyrazole-3-carboxylate


Chemical Name: Methyl 5-(Trifluoromethyl)pyrazole-3-carboxylate
CAS Number: 6833-82-5
Product Number: AG003RWU(AGN-PC-0WADZ7)
Synonyms:
MDL No:
Molecular Formula: C6H5F3N2O2
Molecular Weight: 194.1113

Identification/Properties


Properties
MP:
134.5-135℃
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
194.113g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
194.03g/mol
Monoisotopic Mass:
194.03g/mol
Topological Polar Surface Area:
55A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
207
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#:
N/A
Hazard Statements:
H302-H315-H320-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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