Base information
| Cat. No. | |
| CAS No. | 87148-60-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H8ClN |
| Molecular Weight | 213.662 |
| Exact Mass | 213.035 |
| XLogP3 | 3.1348 |
| Mr | 61.669 |
| PSA | 12.89 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 24 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Clc1ccc(cn1)C#Cc1ccccc1 |
