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1315449-99-0

1315449-99-0 structural image
Product Name: α-Me-D-Phe(4-CF<sub>3<sub>)-OEt·HCl·H<sub>2<sub>O
Formula: C13H16F3NO2
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COMPUTED DESCRIPTORS

Molecular Weight 329.74 g/mol
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 5
Exact Mass 329.1005556 g/mol
Monoisotopic Mass 329.1005556 g/mol
Topological Polar Surface Area 53.3 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 312
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 3
Compound Is Canonicalized Yes