Base information
| Cat. No. | |
| CAS No. | 125-51-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H28BrNO3 |
| Molecular Weight | 434.367 |
| Exact Mass | 433.125 |
| XLogP3 | 0.0574 |
| Mr | 116.169 |
| PSA | 46.53 |
| Sequence | - |
| Atom number | 55 |
| Bond number | 56 |
| Ring number | 3 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | CC[N+]1(C)CCCC(C1)OC(=O)C(c1ccccc1)(c1ccccc1)O.[Br-] |
