Base information
| Cat. No. | |
| CAS No. | 1123171-93-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H5BrFNO4 |
| Molecular Weight | 278.032 |
| Exact Mass | 276.939 |
| XLogP3 | 2.8062 |
| Mr | 54.2015 |
| PSA | 72.12 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 20 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1cc(F)c(c(c1)Br)[N+](=O)[O-] |
