Tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionate)erbium(III)

• Catalog: OFC17978755
• CAS: 17978-75-5
• Category: Fluorinated Metal Complexes
• Purity: 98%
• MDL Number: MFCD00074990

• IUPAC Name: erbium;1,1,1,2,2,3,3-heptafluoro-6-hydroxy-7,7-dimethyloct-5-en-4-one
• InChI: InChI=1S/3C10H11F7O2.Er/c3*1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17;/h3*4,18H,1-3H3
• InChI Key: LEHFMLQRGJCLOZ-UHFFFAOYSA-N
• Isomeric SMILES: CC(C)(C)C(=CC(=O)C(C(C(F)(F)F)(F)F)(F)F)O.CC(C)(C)C(=CC(=O)C(C(C(F)(F)F)(F)F)(F)F)O.CC(C)(C)C(=CC(=O)C(C(C(F)(F)F)(F)F)(F)F)O.[Er]

• Molecular Formula: C30H30ErF21O6
• Molecular Weight: 1052.80
• Storage: Keep in dark place, inert atmosphere, 2-8 °C

• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 27
• Rotatable Bond Count: 12
• Exact Mass: 1054.124481 g/mol
• Monoisotopic Mass: 1054.124481 g/mol
• Topological Polar Surface Area: 112Ų
• Heavy Atom Count: 58
• Formal Charge: 0
• Complexity: 388