Base information
| Cat. No. | |
| CAS No. | 451-90-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H6BrFO3 |
| Molecular Weight | 249.034 |
| Exact Mass | 247.948 |
| XLogP3 | 2.0516 |
| Mr | 47.1708 |
| PSA | 46.53 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 19 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | OC(=O)COc1ccc(cc1F)Br |
