Base information
| Cat. No. | |
| CAS No. | 79025-49-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H7ClN2O |
| Molecular Weight | 182.607 |
| Exact Mass | 182.025 |
| XLogP3 | 2.38368 |
| Mr | 47.0634 |
| PSA | 59.04 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 19 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1cc(N)c(cc1Cl)C#N |
