Neodymium trifluoroacetylacetonate

• CAS: 37473-67-9
• Catalog Number: ACM37473679-1
• Category: Other Products
• Molecular Weight: 606.5
• Molecular Formula: C15H15F9NdO6
• Synonyms: Tris-(1,1,1-trifluoro-2,4-pentanedionato-O,O'')-neodymium
• IUPAC Name: Neodymium;(Z)-1,1,1-trifluoro-4-hydroxypent-3-en-2-one
• Canonical SMILES: CC(=CC(=O)C(F)(F)F)O.CC(=CC(=O)C(F)(F)F)O.CC(=CC(=O)C(F)(F)F)O.[Nd]
• InChI: InChI=1S/3C5H5F3O2.Nd/c3*1-3(9)2-4(10)5(6,7)8;/h3*2,9H,1H3;/b3*3-2-
• InChI Key: QAFZOVUCJWQXJN-IQMQLBNYSA-N
• Boiling Point: 195.6ºC at 760 mmHg
• Melting Point: 140 °C
• Flash Point: 72.1ºC
• Appearance: Bluish-pink crystal
• Complexity: 606
• Covalently-Bonded Unit Count: 4
• Defined Atom Stereocenter Count: 0
• Exact Mass: 603.98022
• Hazard Statements: Xi
• H-Bond Acceptor: 5
• H-Bond Donor: 0
• Heavy Atom Count: 31
• Hydrogen Bond Acceptor Count: 15
• Hydrogen Bond Donor Count: 3
• Isomeric SMILES: C/C(=C/C(=O)C(F)(F)F)/O.C/C(=C/C(=O)C(F)(F)F)/O.C/C(=C/C(=O)C(F)(F)F)/O.[Nd]
• Monoisotopic Mass: 603.98022
• Rotatable Bond Count: 3
• Topological Polar Surface Area: 112 Ų