Base information
| Cat. No. | |
| CAS No. | 76-90-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H26BrNO3 |
| Molecular Weight | 420.34 |
| Exact Mass | 419.11 |
| XLogP3 | -0.3327 |
| Mr | 111.362 |
| PSA | 46.53 |
| Sequence | - |
| Atom number | 52 |
| Bond number | 53 |
| Ring number | 3 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CCC[N+](C1)(C)C.[Br-] |
