Base information
| Cat. No. | |
| CAS No. | 1347815-41-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H4IN3 |
| Molecular Weight | 245.021 |
| Exact Mass | 244.945 |
| XLogP3 | 1.72128 |
| Mr | 46.0734 |
| PSA | 62.7 |
| Sequence | - |
| Atom number | 14 |
| Bond number | 14 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | N#Cc1cc(I)cnc1N |
