Base information
| Cat. No. | |
| CAS No. | 1172851-61-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H6ClIN2O |
| Molecular Weight | 320.514 |
| Exact Mass | 319.921 |
| XLogP3 | 2.8964 |
| Mr | 63.757 |
| PSA | 35.01 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 21 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1cc2ncnc(c2cc1I)Cl |
