Base information
| Cat. No. | |
| CAS No. | 172876-96-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H4INO2 |
| Molecular Weight | 273.027 |
| Exact Mass | 272.929 |
| XLogP3 | 1.92908 |
| Mr | 50.1875 |
| PSA | 50.09 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 17 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | N#C[I]1OC(=O)c2c1cccc2 |
