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


Chemical Name: 3-Pyridinecarbonitrile, 1,2-dihydro-2-oxo-6-phenyl-4-(trifluoromethyl)-
CAS Number: 3335-44-2
Product Number: AG003HTY(AGN-PC-0KK1D8)
Synonyms:
MDL No:
Molecular Formula: C13H7F3N2O
Molecular Weight: 264.2027

Identification/Properties


Computed Properties
Molecular Weight:
264.207g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
264.051g/mol
Monoisotopic Mass:
264.051g/mol
Topological Polar Surface Area:
52.9A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
502
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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