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147381-61-1

147381-61-1 structural image
Product Name: 3-CYANO-4-TRIFLUOROMETHYL-6-(4'-METHOXYPHENYL)-PYRIDINE-2-ONE
Formula: C14H9F3N2O2
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 21.2 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 294.23 g/mol
XLogP3 2.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 2
Exact Mass 294.06161202 g/mol
Monoisotopic Mass 294.06161202 g/mol
Topological Polar Surface Area 62.1 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 546
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