Base information
| Cat. No. | |
| CAS No. | 111991-20-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H5F3O |
| Molecular Weight | 174.12 |
| Exact Mass | 174.029 |
| XLogP3 | 1.8453 |
| Mr | 36.289 |
| PSA | 17.07 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 17 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | O=CCc1cc(F)c(cc1F)F |
