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1217652-16-8

1217652-16-8 structural image
Product Name: (S)-ALPHA-(3-TRIFLUOROMETHYL-BENZYL)-PROLINE-HCL
Formula: C13H15ClF3NO2
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COMPUTED DESCRIPTORS

Molecular Weight 309.71 g/mol
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 3
Exact Mass 309.0743409 g/mol
Monoisotopic Mass 309.0743409 g/mol
Topological Polar Surface Area 49.3 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 345
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 2
Compound Is Canonicalized Yes