Base information
| Cat. No. | |
| CAS No. | 69113-59-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H4IN |
| Molecular Weight | 229.018 |
| Exact Mass | 228.939 |
| XLogP3 | 2.16288 |
| Mr | 43.874 |
| PSA | 23.79 |
| Sequence | - |
| Atom number | 13 |
| Bond number | 13 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | N#Cc1cccc(c1)I |
