Base information
| Cat. No. | |
| CAS No. | 83939-58-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H9ClN2 |
| Molecular Weight | 168.623 |
| Exact Mass | 168.045 |
| XLogP3 | 1.9271 |
| Mr | 44.633 |
| PSA | 25.78 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 21 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Clc1nc(C)c2c(n1)CCC2 |
