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75838-24-3

75838-24-3 structural image
Product Name: 5-CYANO-1-[3-(TRIFLUOROMETHYL)PHENYL]URACIL
Formula: C12H6F3N3O2
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility >42.2 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 281.19 g/mol
XLogP3 1.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 1
Exact Mass 281.04121093 g/mol
Monoisotopic Mass 281.04121093 g/mol
Topological Polar Surface Area 73.2 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 518
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