Base information
| Cat. No. | |
| CAS No. | 1261669-52-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H5BrF6O |
| Molecular Weight | 323.03 |
| Exact Mass | 321.943 |
| XLogP3 | 4.4953 |
| Mr | 50.638 |
| PSA | 9.23 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 22 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COc1cc(c(c(c1)C(F)(F)F)Br)C(F)(F)F |
