Base information
| Cat. No. | |
| CAS No. | 140621-52-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H12IN |
| Molecular Weight | 261.103 |
| Exact Mass | 261.001 |
| XLogP3 | 2.3528 |
| Mr | 56.635 |
| PSA | 3.24 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 23 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | CN(Cc1ccc(cc1)I)C |
