Base information
| Cat. No. | |
| CAS No. | 80650-46-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H7ClN2O |
| Molecular Weight | 170.596 |
| Exact Mass | 170.025 |
| XLogP3 | 1.3319 |
| Mr | 43.3457 |
| PSA | 41.99 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | ClCC(=O)Nc1ccncc1 |
