Base information
| Cat. No. | |
| CAS No. | 161919-74-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H11BrO2 |
| Molecular Weight | 231.086 |
| Exact Mass | 229.994 |
| XLogP3 | 2.5987 |
| Mr | 52.262 |
| PSA | 18.46 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 23 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COc1cc(OC)ccc1CBr |
