Base information
| Cat. No. | |
| CAS No. | 4640-68-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H5Cl2NO |
| Molecular Weight | 214.048 |
| Exact Mass | 212.975 |
| XLogP3 | 3.08978 |
| Mr | 51.2125 |
| PSA | 40.86 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | N#CCC(=O)c1ccc(c(c1)Cl)Cl |
