Base information
| Cat. No. | |
| CAS No. | 1000341-16-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H4ClN3 |
| Molecular Weight | 177.59 |
| Exact Mass | 177.009 |
| XLogP3 | 2.08798 |
| Mr | 45.8187 |
| PSA | 52.47 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 17 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Clc1n[nH]c2c1cc(cc2)C#N |
