Base information
| Cat. No. | |
| CAS No. | 1072944-23-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H9BBrNO2 |
| Molecular Weight | 229.867 |
| Exact Mass | 228.991 |
| XLogP3 | 0.1407 |
| Mr | 51.6946 |
| PSA | 53.35 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Brc1cc(C)c(c(n1)C)B(O)O |
