1H-1,2,4-Triazole, 3-(trifluoromethyl)-


Chemical Name: 1H-1,2,4-Triazole, 3-(trifluoromethyl)-
CAS Number: 60406-75-9
Product Number: AG00EE7M(AGN-PC-0OD3Q9)
Synonyms:
MDL No:
Molecular Formula: C3H2F3N3
Molecular Weight: 137.0633

Identification/Properties


Computed Properties
Molecular Weight:
137.065g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
0
Exact Mass:
137.02g/mol
Monoisotopic Mass:
137.02g/mol
Topological Polar Surface Area:
41.6A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
101
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:
Danger
UN#:
2810
Hazard Statements:
H301
Precautionary Statements:
P301+P310
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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