Base information
| Cat. No. | |
| CAS No. | 66131-78-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H7IN2O |
| Molecular Weight | 262.048 |
| Exact Mass | 261.96 |
| XLogP3 | 1.7176 |
| Mr | 51.2667 |
| PSA | 41.99 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | CC(=O)Nc1ccc(cn1)I |
