3-[2-oxo-3-(trifluoromethyl)pyridin-1-yl]propanenitrile


Chemical Name: 3-[2-oxo-3-(trifluoromethyl)pyridin-1-yl]propanenitrile
CAS Number: 175277-60-8
Product Number: AG00AOL2(AGN-PC-0KK814)
Synonyms:
MDL No:
Molecular Formula: C9H7F3N2O
Molecular Weight: 216.1599

Identification/Properties


Computed Properties
Molecular Weight:
216.163g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
216.051g/mol
Monoisotopic Mass:
216.051g/mol
Topological Polar Surface Area:
44.1A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
373
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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