Cas no 71959-66-5 (Pentanoyl chloride, 5-chloro-2-ethyl-)

Pentanoyl chloride, 5-chloro-2-ethyl- structure
71959-66-5 structure
Product Name:Pentanoyl chloride, 5-chloro-2-ethyl-
CAS No:71959-66-5
MF:C7H12Cl2O
MW:183.075580596924
CID:544760
PubChem ID:20522166
Update Time:2025-04-19

Pentanoyl chloride, 5-chloro-2-ethyl- Chemical and Physical Properties

Names and Identifiers

    • Pentanoyl chloride, 5-chloro-2-ethyl-
    • 5-chloro-2-ethylpentanoyl chloride
    • 71959-66-5
    • DTXSID40608347
    • Inchi： 1S/C7H12Cl2O/c1-2-6(7(9)10)4-3-5-8/h6H,2-5H2,1H3
    • InChI Key： PNXNOIFYBVCGKE-UHFFFAOYSA-N
    • SMILES： ClC(C(CC)CCCCl)=O

Computed Properties

  • Exact Mass: 182.02666
  • Monoisotopic Mass: 182.0265204g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 5
  • Complexity: 104
  • 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: 2.9
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07

Pentanoyl chloride, 5-chloro-2-ethyl- Related Literature

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