270065-74-2
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 |