Cas no 21340-66-9 (2-[(4'-chlorobiphenyl-4-yl)oxy]-2-methylpropanoic acid)

2-[(4'-chlorobiphenyl-4-yl)oxy]-2-methylpropanoic acid structure
21340-66-9 structure
Product Name:2-[(4'-chlorobiphenyl-4-yl)oxy]-2-methylpropanoic acid
CAS No:21340-66-9
MF:C16H15ClO3
MW:290.741503953934
CID:1400385
PubChem ID:3084357
Update Time:2025-04-20

2-[(4'-chlorobiphenyl-4-yl)oxy]-2-methylpropanoic acid Chemical and Physical Properties

Names and Identifiers

    • 2-[(4'-chlorobiphenyl-4-yl)oxy]-2-methylpropanoic acid
    • 2-[4-(4-chlorophenyl)phenoxy]-2-methylpropanoic acid
    • AKOS004116424
    • 21340-66-9
    • Propanoic acid, 2-((4'-chloro(1,1'-biphenyl)-4-yl)oxy)-2-methyl-
    • 29CXF054RZ
    • Ici 54856
    • UNII-29CXF054RZ
    • SCHEMBL6350219
    • Ici-54856
    • CLOFENAPIC ACID
    • DTXSID10175612
    • PROPIONIC ACID, 2-((4'-CHLORO-4-BIPHENYLYL)OXY)-2-METHYL-
    • Inchi: 1S/C16H15ClO3/c1-16(2,15(18)19)20-14-9-5-12(6-10-14)11-3-7-13(17)8-4-11/h3-10H,1-2H3,(H,18,19)
    • InChI Key: BWXVFPRJHCRVKA-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(=CC=1)C1C=CC(=CC=1)OC(C(=O)O)(C)C

Computed Properties

  • Exact Mass: 290.07105
  • Monoisotopic Mass: 290.0709720g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 4
  • Complexity: 327
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.2
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • PSA: 46.53
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