Base information
| Cat. No. | |
| CAS No. | 1289209-13-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H8ClN3 |
| Molecular Weight | 181.622 |
| Exact Mass | 181.041 |
| XLogP3 | 1.9995 |
| Mr | 47.929 |
| PSA | 30.19 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 21 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Cc1nc(C)n2c(c1Cl)ncc2 |
