Cas no 111244-81-6 (Benzoyl chloride, 3,3'-[1,8-octanediylbis(oxy)]bis-)

Benzoyl chloride, 3,3'-[1,8-octanediylbis(oxy)]bis- structure
111244-81-6 structure
Product Name:Benzoyl chloride, 3,3'-[1,8-octanediylbis(oxy)]bis-
CAS No:111244-81-6
MF:C22H24Cl2O4
MW:423.329565048218
CID:1202979
PubChem ID:71335514
Update Time:2025-04-20

Benzoyl chloride, 3,3'-[1,8-octanediylbis(oxy)]bis- Chemical and Physical Properties

Names and Identifiers

    • Benzoyl chloride, 3,3'-[1,8-octanediylbis(oxy)]bis-
    • 3-[8-(3-carbonochloridoylphenoxy)octoxy]benzoyl chloride
    • 111244-81-6
    • 3,3'-[Octane-1,8-diylbis(oxy)]dibenzoyl chloride
    • DTXSID80763464
    • Inchi: 1S/C22H24Cl2O4/c23-21(25)17-9-7-11-19(15-17)27-13-5-3-1-2-4-6-14-28-20-12-8-10-18(16-20)22(24)26/h7-12,15-16H,1-6,13-14H2
    • InChI Key: HHICBWVNGVZGJF-UHFFFAOYSA-N
    • SMILES: ClC(C1=CC=CC(=C1)OCCCCCCCCOC1C=CC=C(C(=O)Cl)C=1)=O

Computed Properties

  • Exact Mass: 422.10532
  • Monoisotopic Mass: 422.1051646g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 13
  • Complexity: 430
  • 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: 7.1
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • PSA: 52.6
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