Base information
| Cat. No. | |
| CAS No. | 2170041-79-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H6BBrO3 |
| Molecular Weight | 228.836 |
| Exact Mass | 227.959 |
| XLogP3 | -0.0586 |
| Mr | 49.3551 |
| PSA | 57.53 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | O=Cc1cc(Br)ccc1B(O)O |
