Base information
| Cat. No. | |
| CAS No. | 68710-16-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H13BrIN |
| Molecular Weight | 402.068 |
| Exact Mass | 400.928 |
| XLogP3 | 0.448 |
| Mr | 87.123 |
| PSA | 3.88 |
| Sequence | - |
| Atom number | 30 |
| Bond number | 30 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | Brc1ccc(cc1)C=Cc1cccc[n+]1C.[I-] |
