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270065-74-2

270065-74-2 structural image
Product Name: BOC-(S)-3-AMINO-4-(2-TRIFLUOROMETHYL-PHENYL)-BUTYRIC ACID
Formula: C16H20F3NO4
Synonyms: (S)-3-(Boc-amino)-4-[2-(trifluoromethyl)phenyl]butyric acid;(S)-3-(Boc-amino)-4-[4-(trifluoromethyl)phenyl]butyric acid;Boc-2-(trifluoromethyl)-L-β-homophenylalanine;Boc-4-(trifluoromethyl)-L-β-homophenylalanine
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COMPUTED DESCRIPTORS

Molecular Weight 347.33 g/mol
XLogP3 3.3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 7
Exact Mass 347.13444261 g/mol
Monoisotopic Mass 347.13444261 g/mol
Topological Polar Surface Area 75.6 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 446
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 1
Compound Is Canonicalized Yes