Cas no 61233-70-3 (1,6-Dibromo-3-hexyne)

1,6-Dibromo-3-hexyne structure
1,6-Dibromo-3-hexyne structure
Product Name:1,6-Dibromo-3-hexyne
CAS No:61233-70-3
MF:C6H8Br2
MW:239.935720443726
CID:2188931
PubChem ID:556175
Update Time:2025-04-21

1,6-Dibromo-3-hexyne Chemical and Physical Properties

Names and Identifiers

    • 1,6-Dibromo-3-hexyne
    • 1,6-dibromohex-3-yne
    • 3-Hexyne, 1,6-dibromo-
    • DTXCID50290510
    • DB-311568
    • 61233-70-3
    • 1,6-Dibromo-3-hexyne #
    • SCHEMBL9786005
    • DTXSID60339429
    • Inchi: 1S/C6H8Br2/c7-5-3-1-2-4-6-8/h3-6H2
    • InChI Key: GVVHGLBWJFRVBC-UHFFFAOYSA-N
    • SMILES: BrCCC#CCCBr

Computed Properties

  • Exact Mass: 239.89723Da
  • Monoisotopic Mass: 237.89928Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 2
  • Complexity: 85.6
  • 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: 2.7
  • Topological Polar Surface Area: 0?2
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