Base information
| Cat. No. | |
| CAS No. | 1416575-48-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H7IN2O2 |
| Molecular Weight | 278.047 |
| Exact Mass | 277.955 |
| XLogP3 | 1.2579 |
| Mr | 50.8355 |
| PSA | 52.08 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 19 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CCOC(=O)c1cnc(cn1)I |
