Base information
| Cat. No. | |
| CAS No. | 40545-65-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H8ClN3 |
| Molecular Weight | 193.633 |
| Exact Mass | 193.041 |
| XLogP3 | 2.8935 |
| Mr | 53.4381 |
| PSA | 54.7 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 22 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Clc1ccc(cc1)c1c[nH]nc1N |
