3-chloro-5-(trifluoromethyl)-3H-pyridin-2-one


Chemical Name: 3-chloro-5-(trifluoromethyl)-3H-pyridin-2-one
CAS Number: 76041-71-9
Product Number: AG0036NG(AGN-PC-09TNFK)
Synonyms:
MDL No:
Molecular Formula: C6H3ClF3NO
Molecular Weight: 197.5423

Identification/Properties


Properties
MP:
159-161 °C(lit.);
BP:
234.6 °C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
197.541g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
196.986g/mol
Monoisotopic Mass:
196.986g/mol
Topological Polar Surface Area:
29.1A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
279
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


NMR Spectrum


Other Analytical Data


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