Base information
| Cat. No. | |
| CAS No. | 33140-34-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H5IN2O2 |
| Molecular Weight | 288.042 |
| Exact Mass | 287.94 |
| XLogP3 | 0.821 |
| Mr | 57.9064 |
| PSA | 65.72 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 19 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | O=c1[nH]c2cccc(c2c(=O)[nH]1)I |
