Base information
| Cat. No. | |
| CAS No. | 1256819-38-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H6FNO3 |
| Molecular Weight | 171.126 |
| Exact Mass | 171.033 |
| XLogP3 | 0.9275 |
| Mr | 37.6463 |
| PSA | 59.42 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COc1cc(cnc1F)C(=O)O |
