Base information
| Cat. No. | |
| CAS No. | 83617-79-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H12ClFeN |
| Molecular Weight | 285.55 |
| Exact Mass | 285.001 |
| XLogP3 | -1.9919 |
| Mr | 67.6874 |
| PSA | 0 |
| Sequence | - |
| Atom number | 29 |
| Bond number | 37 |
| Ring number | 10 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | C[N+](C[CH-]12C3=C4[Fe+2]5678923(C1=C45)[c-]1c6c8c9c71)(C)C.[Cl-] |
