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171338-33-3

171338-33-3 structural image
Product Name: (2R,3S)-2-[(1R)-1-[3,5-Bis(trifluoroMethyl)phenyl]ethoxy]-3-(phenyl)Morpholine
Formula: C20H19F6NO2
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COMPUTED DESCRIPTORS

Molecular Weight 419.4 g/mol
XLogP3 4.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 4
Exact Mass 419.13199782 g/mol
Monoisotopic Mass 419.13199782 g/mol
Topological Polar Surface Area 30.5 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 498
Isotope Atom Count 0
Defined Atom Stereocenter Count 3
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes