Base information
| Cat. No. | |
| CAS No. | 273399-95-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H8ClN3 |
| Molecular Weight | 181.622 |
| Exact Mass | 181.041 |
| XLogP3 | 2.3753 |
| Mr | 48.7771 |
| PSA | 54.7 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 21 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | NCc1nc2c([nH]1)cc(cc2)Cl |
