2-Pyridinecarbonitrile, 5-(trifluoromethyl)-


Chemical Name: 2-Pyridinecarbonitrile, 5-(trifluoromethyl)-
CAS Number: 95727-86-9
Product Number: AG00IJES(AGN-PC-0K6I3U)
Synonyms:
MDL No:
Molecular Formula: C7H3F3N2
Molecular Weight: 172.1073

Identification/Properties


Computed Properties
Molecular Weight:
172.11g/mol
XLogP3:
1.8
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


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H312-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338-P304+P340-P405-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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