Base information
| Cat. No. | |
| CAS No. | 5399-95-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H5ClN4 |
| Molecular Weight | 168.584 |
| Exact Mass | 168.02 |
| XLogP3 | 1.3147 |
| Mr | 41.6597 |
| PSA | 54.46 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 17 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Cc1n[nH]c2c1ncnc2Cl |
