Base information
| Cat. No. | |
| CAS No. | 213744-81-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H9ClIN3 |
| Molecular Weight | 321.545 |
| Exact Mass | 320.953 |
| XLogP3 | 3.2702 |
| Mr | 66.131 |
| PSA | 30.71 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 24 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | CC(n1cc(c2c1ncnc2Cl)I)C |
