Base information
| Cat. No. | |
| CAS No. | 2066567-78-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H13IN2O2 |
| Molecular Weight | 344.148 |
| Exact Mass | 344.002 |
| XLogP3 | 3.0456 |
| Mr | 73.934 |
| PSA | 47.28 |
| Sequence | - |
| Atom number | 30 |
| Bond number | 32 |
| Ring number | 3 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Oc1ccc2c(c1)c(I)nn2C1CCCCO1 |
