Base information
| Cat. No. | |
| CAS No. | 111755-76-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H14BrNO |
| Molecular Weight | 208.096 |
| Exact Mass | 207.026 |
| XLogP3 | -3.3077 |
| Mr | 46.3882 |
| PSA | 20.23 |
| Sequence | - |
| Atom number | 24 |
| Bond number | 22 |
| Ring number | 0 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | OCC[N+](CC#C)(C)C.[Br-] |
