1,3,4-Oxadiazol-2-amine, 5-(trifluoromethyl)-


Chemical Name: 1,3,4-Oxadiazol-2-amine, 5-(trifluoromethyl)-
CAS Number: 768-29-6
Product Number: AG008P3J(AGN-PC-0JSAPY)
Synonyms:
MDL No:
Molecular Formula: C3H2F3N3O
Molecular Weight: 153.0627

Identification/Properties


Computed Properties
Molecular Weight:
153.064g/mol
XLogP3:
-0.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
0
Exact Mass:
153.015g/mol
Monoisotopic Mass:
153.015g/mol
Topological Polar Surface Area:
64.9A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
127
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#:
2811
Hazard Statements:
H301
Precautionary Statements:
P301+P310
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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