| Catalog | OFC2413906360 |
| CAS | 2413906-36-0 |
| Category | Fluorinated Metal Complexes |
| Synonyms | Ni(4-CF3stb)3 |
| Purity | >97% |
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| IUPAC Name | nickel;1-(trifluoromethyl)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene |
| InChI | InChI=1S/3C16H10F6.Ni/c3*17-15(18,19)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(20,21)22;/h3*1-10H;/b3*2-1+; |
| InChI Key | MPYIHPQSDZTTLO-VRBCMZOBSA-N |
| Isomeric SMILES | C1=CC(=CC=C1/C=C/C2=CC=C(C=C2)C(F)(F)F)C(F)(F)F.C1=CC(=CC=C1/C=C/C2=CC=C(C=C2)C(F)(F)F)C(F)(F)F.C1=CC(=CC=C1/C=C/C2=CC=C(C=C2)C(F)(F)F)C(F)(F)F.[Ni] |
| Molecular Formula | C48H30F18Ni |
| Molecular Weight | 1007.41 |
| Appearance | Red solid |
| Storage | Store cold |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 18 |
| Rotatable Bond Count | 6 |
| Exact Mass | 1006.141350 g/mol |
| Monoisotopic Mass | 1006.141350 g/mol |
| Topological Polar Surface Area | 0Ų |
| Heavy Atom Count | 67 |
| Formal Charge | 0 |
| Complexity | 329 |
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