845866-68-4
Product Name:
(1S,4S)-(+)-2-(3,4-DICHLORO-BENZYL)-2,5-DIAZA-BICYCLO[2.2.1]HEPTANE 2CF3COOH
Formula:
C12H14Cl2N2.2C2HF3O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 485.2 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 2 |
| Exact Mass | 484.0391314 g/mol |
| Monoisotopic Mass | 484.0391314 g/mol |
| Topological Polar Surface Area | 89.9 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 345 |
| 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 | 3 |
| Compound Is Canonicalized | Yes |