Base information
| Cat. No. | |
| CAS No. | 850864-59-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H7BBrNO3 |
| Molecular Weight | 231.84 |
| Exact Mass | 230.97 |
| XLogP3 | -0.4675 |
| Mr | 48.2546 |
| PSA | 62.58 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 19 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COc1ncc(cc1B(O)O)Br |
