Base information
| Cat. No. | |
| CAS No. | 51250-90-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H5ClN2O2 |
| Molecular Weight | 196.59 |
| Exact Mass | 196.004 |
| XLogP3 | 2.83748 |
| Mr | 49.796 |
| PSA | 69.61 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | N#CCc1ccc(c(c1)[N+](=O)[O-])Cl |
