Cas no 926200-09-1 (4-Fluoro-2-(4-T-butylphenyl)benzoic acid)

4-Fluoro-2-(4-T-butylphenyl)benzoic acid structure
926200-09-1 structure
Product Name:4-Fluoro-2-(4-T-butylphenyl)benzoic acid
CAS No:926200-09-1
MF:C17H17FO2
MW:272.314088582993
CID:2620635
PubChem ID:16768549
Update Time:2024-10-26

4-Fluoro-2-(4-T-butylphenyl)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • 4-FLUORO-2-(4-T-BUTYLPHENYL)BENZOIC ACID
    • 4'-tert-Butyl-5-fluoro[1,1'-biphenyl]-2-carboxylic acid
    • 4'-TERT-BUTYL-5-FLUORO-1,1'-BIPHENYL-2-CARBOXYLIC ACID
    • 4'-(tert-Butyl)-5-fluoro-[1,1'-biphenyl]-2-carboxylic acid
    • DTXSID00588055
    • 926200-09-1
    • SCHEMBL23354308
    • [1,1'-Biphenyl]-2-carboxylic acid, 4'-(1,1-dimethylethyl)-5-fluoro-
    • G63233
    • AKOS000124688
    • 4-Fluoro-2-(4-T-butylphenyl)benzoic acid
    • Inchi： 1S/C17H17FO2/c1-17(2,3)12-6-4-11(5-7-12)15-10-13(18)8-9-14(15)16(19)20/h4-10H,1-3H3,(H,19,20)
    • InChI Key： SBOLSXIZKYZXKN-UHFFFAOYSA-N
    • SMILES： FC1C=CC(C(=O)O)=C(C=1)C1C=CC(=CC=1)C(C)(C)C

Computed Properties

  • Exact Mass: 272.12125794g/mol
  • Monoisotopic Mass: 272.12125794g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 3
  • Complexity: 339
  • 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
  • Topological Polar Surface Area: 37.3
  • XLogP3: 4.8

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