5-methyl-3-(trifluoromethyl)-1H-1,2,4-triazole


Chemical Name: 5-methyl-3-(trifluoromethyl)-1H-1,2,4-triazole
CAS Number: 667873-25-8
Product Number: AG00FFZ3(AGN-PC-0KL26W)
Synonyms:
MDL No:
Molecular Formula: C4H4F3N3
Molecular Weight: 151.0899

Identification/Properties


Computed Properties
Molecular Weight:
151.092g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
0
Exact Mass:
151.036g/mol
Monoisotopic Mass:
151.036g/mol
Topological Polar Surface Area:
41.6A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
123
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#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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