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682802-95-5

682802-95-5 structural image
Product Name: 3-AMINO-3-(3,5-BIS-TRIFLUOROMETHYL-PHENYL)-PROPIONIC ACID
Formula: C11H9F6NO2
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COMPUTED DESCRIPTORS

Molecular Weight 301.18 g/mol
XLogP3 -0.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 3
Exact Mass 301.05374750 g/mol
Monoisotopic Mass 301.05374750 g/mol
Topological Polar Surface Area 63.3 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 332
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes