955137-84-5
Product Name:
Boc-(+/-)-trans-4-(3,5-bis(trifluoroMethyl)-phenyl)-pyrrolidine-3-carboxylic acid
Formula:
C18H19F6NO4
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COMPUTED DESCRIPTORS
| Molecular Weight | 427.3 g/mol |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 4 |
| Exact Mass | 427.12182706 g/mol |
| Monoisotopic Mass | 427.12182706 g/mol |
| Topological Polar Surface Area | 66.8 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 605 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |