Base information
| Cat. No. | |
| CAS No. | 100894-64-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H11ClN2 |
| Molecular Weight | 170.639 |
| Exact Mass | 170.061 |
| XLogP3 | -1.9339 |
| Mr | 49.403 |
| PSA | 8.81 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | C=CCn1cc[n+](c1)C=C.[Cl-] |
