Base information
| Cat. No. | |
| CAS No. | 669768-28-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H6F12O3 |
| Molecular Weight | 426.155 |
| Exact Mass | 426.013 |
| XLogP3 | 4.0166 |
| Mr | 60.4786 |
| PSA | 60.69 |
| Sequence | - |
| Atom number | 33 |
| Bond number | 33 |
| Ring number | 1 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | Oc1cc(cc(c1)C(C(F)(F)F)(C(F)(F)F)O)C(C(F)(F)F)(C(F)(F)F)O |
