Base information
| Cat. No. | |
| CAS No. | 850495-91-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H12BrNO |
| Molecular Weight | 230.102 |
| Exact Mass | 229.01 |
| XLogP3 | 3.0214 |
| Mr | 52.888 |
| PSA | 22.12 |
| Sequence | - |
| Atom number | 24 |
| Bond number | 24 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | Brc1ccc(nc1)OC(C)(C)C |
