Base information
| Cat. No. | |
| CAS No. | 647030-43-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C41H40Cl2Zr |
| Molecular Weight | 694.886 |
| Exact Mass | 692.155 |
| XLogP3 | 11.2085 |
| Mr | 186.75 |
| PSA | 0 |
| Sequence | - |
| Atom number | 84 |
| Bond number | 98 |
| Ring number | 15 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | Cc1ccc(cc1)C1(c2ccc(cc2)C)[CH-]23C4=C5[Zr+4]6789%1034([CH-]31[C]16=CC(=CC=[C]%101[C]19=CC=C(C=[C]731)C(C)(C)C)C(C)(C)C)(C2=C58)([Cl-])[Cl-] |
