Cas no 133214-12-7 ([1,1'-Biphenyl]-4-aceticacid, 2-fluoro-a-methyl-,copper(2+) salt (2:1))

[1,1'-Biphenyl]-4-aceticacid, 2-fluoro-a-methyl-,copper(2+) salt (2:1) structure
133214-12-7 structure
Product Name:[1,1'-Biphenyl]-4-aceticacid, 2-fluoro-a-methyl-,copper(2+) salt (2:1)
CAS No:133214-12-7
MF:C30H24CuF2O4
MW:550.051977157593
CID:166909
PubChem ID:195739
Update Time:2025-04-19

[1,1'-Biphenyl]-4-aceticacid, 2-fluoro-a-methyl-,copper(2+) salt (2:1) Chemical and Physical Properties

Names and Identifiers

    • [1,1'-Biphenyl]-4-aceticacid, 2-fluoro-a-methyl-,copper(2+) salt (2:1)
    • copper flurbiprofen complex
    • copper,2-(3-fluoro-4-phenylphenyl)propanoate
    • copper(2+) bis[2-(2-fluorobiphenyl-4-yl)propanoate]
    • Flurbiprofen copper complex
    • UNII-8C23PD13OJ
    • 133214-12-7
    • copper 2-(3-fluoro-4-phenylphenyl)propanoate
    • copper;2-(3-fluoro-4-phenylphenyl)propanoate
    • Copper(2+) bis[2-(2-fluoro[1,1'-biphenyl]-4-yl)propanoate]
    • 8C23PD13OJ
    • DTXSID10928004
    • Inchi： 1S/2C15H13FO2.Cu/c2*1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11;/h2*2-10H,1H3,(H,17,18);/q;;+2/p-2
    • InChI Key： CVWWJKUZJCMJPB-UHFFFAOYSA-L
    • SMILES： [Cu+2].FC1C=C(C=CC=1C1C=CC=CC=1)C(C(=O)[O-])C.FC1C=C(C=CC=1C1C=CC=CC=1)C(C(=O)[O-])C

Computed Properties

  • Exact Mass: 549.09392
  • Monoisotopic Mass: 549.094
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 37
  • Rotatable Bond Count: 4
  • Complexity: 281
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 80.3?2

Experimental Properties

  • Density: g/cm3
  • Boiling Point: 376.2°C at 760 mmHg
  • Flash Point: 181.3°C
  • PSA: 80.26

[1,1'-Biphenyl]-4-aceticacid, 2-fluoro-a-methyl-,copper(2+) salt (2:1) Related Literature

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