Base information
| Cat. No. | |
| CAS No. | 179897-95-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H8BrClO |
| Molecular Weight | 235.506 |
| Exact Mass | 233.945 |
| XLogP3 | 3.4195 |
| Mr | 50.61 |
| PSA | 9.23 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 19 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1cc(C)c(cc1Cl)Br |
