1H-Pyrazole, 3,5-bis(trifluoromethyl)-


Chemical Name: 1H-Pyrazole, 3,5-bis(trifluoromethyl)-
CAS Number: 14704-41-7
Product Number: AG001EKE(AGN-PC-0JS8N3)
Synonyms:
MDL No:
Molecular Formula: C5H2F6N2
Molecular Weight: 204.0732

Identification/Properties


Computed Properties
Molecular Weight:
204.075g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
0
Exact Mass:
204.012g/mol
Monoisotopic Mass:
204.012g/mol
Topological Polar Surface Area:
28.7A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
184
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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