Base information
| Cat. No. | |
| CAS No. | 54400-30-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H5IN2O2 |
| Molecular Weight | 264.021 |
| Exact Mass | 263.94 |
| XLogP3 | 1.5478 |
| Mr | 48.3177 |
| PSA | 76.21 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 16 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Ic1cnc(c(c1)C(=O)O)N |
