Base information
| Cat. No. | |
| CAS No. | 1000340-14-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H8ClN3 |
| Molecular Weight | 181.622 |
| Exact Mass | 181.041 |
| XLogP3 | 2.6881 |
| Mr | 50.4741 |
| PSA | 54.7 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 21 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Cc1nc2[nH]cc(c2cc1Cl)N |
