Base information
| Cat. No. | |
| CAS No. | 1268390-67-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H7ClN2 |
| Molecular Weight | 166.608 |
| Exact Mass | 166.03 |
| XLogP3 | 2.3017 |
| Mr | 45.8557 |
| PSA | 28.68 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 19 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | ClCc1ccnc2c1cc[nH]2 |
