Base information
| Cat. No. | |
| CAS No. | 1227580-53-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H5FINO |
| Molecular Weight | 253.013 |
| Exact Mass | 252.94 |
| XLogP3 | 1.8339 |
| Mr | 43.404 |
| PSA | 22.12 |
| Sequence | - |
| Atom number | 15 |
| Bond number | 15 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1c(I)ccnc1F |
