1H-Pyrazole, 4-bromo-3-(trifluoromethyl)-


Chemical Name: 1H-Pyrazole, 4-bromo-3-(trifluoromethyl)-
CAS Number: 19968-17-3
Product Number: AG002CAK(AGN-PC-0O6XZO)
Synonyms:
MDL No:
Molecular Formula: C4H2BrF3N2
Molecular Weight: 214.9713

Identification/Properties


Properties
MP:
105-107℃
BP:
235.3°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
214.973g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
213.935g/mol
Monoisotopic Mass:
213.935g/mol
Topological Polar Surface Area:
28.7A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
126
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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