Base information
| Cat. No. | |
| CAS No. | 733740-98-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H13BrO3 |
| Molecular Weight | 297.145 |
| Exact Mass | 296.005 |
| XLogP3 | 3.1327 |
| Mr | 68.0293 |
| PSA | 54.37 |
| Sequence | - |
| Atom number | 30 |
| Bond number | 31 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)Br |
