3-Pyridinecarbonitrile, 6-(trifluoromethyl)-


Chemical Name: 3-Pyridinecarbonitrile, 6-(trifluoromethyl)-
CAS Number: 216431-85-5
Product Number: AG003MPC(AGN-PC-0KKYBA)
Synonyms:
MDL No: MFCD03001347
Molecular Formula: C7H3F3N2
Molecular Weight: 172.1073

Identification/Properties


Properties
MP:
37-41 °C(lit.)
BP:
200.8 °C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
172.11g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
0
Exact Mass:
172.025g/mol
Monoisotopic Mass:
172.025g/mol
Topological Polar Surface Area:
36.7A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
202
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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