Base information
| Cat. No. | |
| CAS No. | 1227268-85-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H7IN2O2 |
| Molecular Weight | 302.069 |
| Exact Mass | 301.955 |
| XLogP3 | 1.9541 |
| Mr | 60.0902 |
| PSA | 54.98 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 22 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1cc2[nH]ncc2cc1I |
