Base information
| Cat. No. | |
| CAS No. | 462629-01-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C66H83BF20N |
| Molecular Weight | 1282.16 |
| Exact Mass | 1281.64 |
| XLogP3 | 27.3133 |
| Mr | 317.261 |
| PSA | 3.24 |
| Sequence | - |
| Atom number | 172 |
| Bond number | 174 |
| Ring number | 5 |
| Rotor number | 39 |
| Residues number | 0 |
| Canonical smiles | FC1=C(F)C(=C(C(=[CH-]1[B+3]([CH-]1=C(F)C(=C(C(=C1F)F)F)F)([CH-]1=C(F)C(=C(C(=C1F)F)F)F)[CH-]1=C(F)C(=C(C(=C1F)F)F)F)F)F)F.CCCCCCCCCCCCCCCCCCN(c1ccccc1)CCCCCCCCCCCCCCCCCC.[H+] |
