Base information
| Cat. No. | |
| CAS No. | 40740-41-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6INO2 |
| Molecular Weight | 251.022 |
| Exact Mass | 250.944 |
| XLogP3 | 1.4059 |
| Mr | 44.7892 |
| PSA | 42.09 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 16 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1cc(c[nH]1)I |
