Base information
| Cat. No. | |
| CAS No. | 401797-04-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H18BBrO3 |
| Molecular Weight | 312.995 |
| Exact Mass | 312.053 |
| XLogP3 | 2.7569 |
| Mr | 77.11 |
| PSA | 27.69 |
| Sequence | - |
| Atom number | 36 |
| Bond number | 37 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COc1cc(Br)cc(c1)B1OC(C(O1)(C)C)(C)C |