Cas no 61993-99-5 (Butanoyl chloride, 2-(2,3,5-trichlorophenoxy)-)

Butanoyl chloride, 2-(2,3,5-trichlorophenoxy)- structure
61993-99-5 structure
Product Name:Butanoyl chloride, 2-(2,3,5-trichlorophenoxy)-
CAS No:61993-99-5
MF:C10H8Cl4O2
MW:301.98131942749
CID:461376
PubChem ID:20373770
Update Time:2025-04-19

Butanoyl chloride, 2-(2,3,5-trichlorophenoxy)- Chemical and Physical Properties

Names and Identifiers

    • Butanoyl chloride, 2-(2,3,5-trichlorophenoxy)-
    • 2-(2,3,5-trichlorophenoxy)butanoyl chloride
    • 61993-99-5
    • SCHEMBL11661711
    • DTXSID90606318
    • Inchi: 1S/C10H8Cl4O2/c1-2-7(10(14)15)16-8-4-5(11)3-6(12)9(8)13/h3-4,7H,2H2,1H3
    • InChI Key: HHTWTMBSECPMEU-UHFFFAOYSA-N
    • SMILES: ClC(C(CC)OC1C=C(C=C(C=1Cl)Cl)Cl)=O

Computed Properties

  • Exact Mass: 299.92804
  • Monoisotopic Mass: 299.927840g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 249
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.3
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.3
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