Base information
| Cat. No. | |
| CAS No. | 405173-97-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H9ClN2 |
| Molecular Weight | 180.634 |
| Exact Mass | 180.045 |
| XLogP3 | 2.3442 |
| Mr | 50.6627 |
| PSA | 28.68 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 22 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | ClCCc1nc2c([nH]1)cccc2 |
