Base information
| Cat. No. | |
| CAS No. | 847906-31-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H9IN2 |
| Molecular Weight | 272.086 |
| Exact Mass | 271.981 |
| XLogP3 | 2.7843 |
| Mr | 58.7427 |
| PSA | 28.68 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 22 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Cc1cc(C)c2c(c1)c(I)n[nH]2 |
