Base information
| Cat. No. | |
| CAS No. | 1167055-95-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H7IN2 |
| Molecular Weight | 258.059 |
| Exact Mass | 257.965 |
| XLogP3 | 2.4759 |
| Mr | 53.7767 |
| PSA | 28.68 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 19 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Cc1cc(I)c2c(n1)[nH]cc2 |
