Base information
| Cat. No. | |
| CAS No. | 578007-67-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H5IN2O |
| Molecular Weight | 248.021 |
| Exact Mass | 247.945 |
| XLogP3 | 1.6621 |
| Mr | 46.7459 |
| PSA | 55.98 |
| Sequence | - |
| Atom number | 15 |
| Bond number | 15 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | O=Cc1cc(I)cnc1N |
