3-Pyridinecarbonitrile, 2-chloro-6-methyl-4-(trifluoromethyl)-


Chemical Name: 3-Pyridinecarbonitrile, 2-chloro-6-methyl-4-(trifluoromethyl)-
CAS Number: 13600-48-1
Product Number: AG009DVJ(AGN-PC-0NJBJR)
Synonyms:
MDL No:
Molecular Formula: C8H4ClF3N2
Molecular Weight: 220.5790

Identification/Properties


Computed Properties
Molecular Weight:
220.579g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
0
Exact Mass:
220.002g/mol
Monoisotopic Mass:
220.002g/mol
Topological Polar Surface Area:
36.7A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
257
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#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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