Base information
| Cat. No. | |
| CAS No. | 51598-60-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H28BrNO4 |
| Molecular Weight | 438.355 |
| Exact Mass | 437.12 |
| XLogP3 | -1.1943 |
| Mr | 110.577 |
| PSA | 59.06 |
| Sequence | - |
| Atom number | 55 |
| Bond number | 58 |
| Ring number | 5 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)CC1CC1)O3.[Br-] |
