Base information
| Cat. No. | |
| CAS No. | 79636-94-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H9BrO2 |
| Molecular Weight | 229.071 |
| Exact Mass | 227.979 |
| XLogP3 | 2.6603 |
| Mr | 50.8285 |
| PSA | 26.3 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CCOc1ccc(cc1C=O)Br |
