Base information
| Cat. No. | |
| CAS No. | 561-43-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H32BrNO3 |
| Molecular Weight | 426.388 |
| Exact Mass | 425.157 |
| XLogP3 | 0.1993 |
| Mr | 113.603 |
| PSA | 46.53 |
| Sequence | - |
| Atom number | 58 |
| Bond number | 59 |
| Ring number | 3 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | O=C(C(c1ccccc1)(C1CCCCC1)O)OCC1CCC[N+]1(C)C.[Br-] |
