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32801-22-2

32801-22-2 structural image
Product Name: 3-Cyano-4-trifluoromethyl-6-(4''-bromophenyl)pyridine-2-one
Formula: C13H6BrF3N2O
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COMPUTED DESCRIPTORS

Molecular Weight 343.10 g/mol
XLogP3 2.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 1
Exact Mass 341.96156 g/mol
Monoisotopic Mass 341.96156 g/mol
Topological Polar Surface Area 52.9 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 534
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