Base information
| Cat. No. | |
| CAS No. | 80054-90-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H6BrF3O2 |
| Molecular Weight | 283.042 |
| Exact Mass | 281.95 |
| XLogP3 | 3.1682 |
| Mr | 50.4195 |
| PSA | 26.3 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | O=C(c1ccc(cc1)Br)OCC(F)(F)F |
