Base information
| Cat. No. | |
| CAS No. | 5411-61-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C10H9BrO2 |
| Molecular Weight | 241.081 |
| Exact Mass | 239.979 |
| XLogP3 | 2.5866 |
| Mr | 53.6805 |
| PSA | 26.3 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 23 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1ccc(c2c1C(=O)CC2)Br |
