Base information
| Cat. No. | |
| CAS No. | 2096341-66-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6BBrO3 |
| Molecular Weight | 216.825 |
| Exact Mass | 215.959 |
| XLogP3 | -0.1655 |
| Mr | 45.9906 |
| PSA | 60.69 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 17 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Oc1cc(Br)cc(c1)B(O)O |
