Base information
| Cat. No. | |
| CAS No. | 53020-08-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H7BrO3 |
| Molecular Weight | 219.033 |
| Exact Mass | 217.958 |
| XLogP3 | 1.9611 |
| Mr | 42.8235 |
| PSA | 39.44 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1ccoc1CBr |
