3-Pyridinecarbonitrile, 1,2-dihydro-6-methyl-2-oxo-4-(trifluoromethyl)-


Chemical Name: 3-Pyridinecarbonitrile, 1,2-dihydro-6-methyl-2-oxo-4-(trifluoromethyl)-
CAS Number: 654-49-9
Product Number: AG003NAA(AGN-PC-0JOJY9)
Synonyms:
MDL No:
Molecular Formula: C8H5F3N2O
Molecular Weight: 202.1333

Identification/Properties


Properties
MP:
233-237℃ (lit.)
Storage:
Room Temperature;Keep in dry area;
Form:
Solid
Computed Properties
Molecular Weight:
202.136g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
0
Exact Mass:
202.035g/mol
Monoisotopic Mass:
202.035g/mol
Topological Polar Surface Area:
52.9A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
395
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#:
3077
Hazard Statements:
H302-H411
Precautionary Statements:
P273-P280
Class:
9
Packing Group:

NMR Spectrum


Other Analytical Data


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