Base information
| Cat. No. | |
| CAS No. | 646-97-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6F6O |
| Molecular Weight | 208.102 |
| Exact Mass | 208.032 |
| XLogP3 | 2.4182 |
| Mr | 32.0638 |
| PSA | 20.23 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 18 |
| Ring number | 0 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | C=CCC(C(F)(F)F)(C(F)(F)F)O |
