Cas no 104959-27-5 (Indole-d6)

Indole-d6 structure
Indole-d6 structure
Product Name:Indole-d6
CAS No:104959-27-5
MF:C8H7N
MW:123.184851884842
CID:1063437
PubChem ID:10772970
Update Time:2025-04-20

Indole-d6 Chemical and Physical Properties

Names and Identifiers

    • Indole-d6
    • INDOLE-D7
    • 2,3,4,5,6,7-Hexadeuterio-1H-indole
    • 104959-27-5
    • DB-265288
    • 1-Azaindene-d6
    • 1H-Indole-d6
    • SCHEMBL12260639
    • HY-W001132S
    • CS-0312590
    • (2,3,4,5,6,7-?H?)-1H-indole
    • Inchi: 1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H/i1D,2D,3D,4D,5D,6D
    • InChI Key: SIKJAQJRHWYJAI-MZWXYZOWSA-N
    • SMILES: N1C([2H])=C([2H])C2C([2H])=C([2H])C([2H])=C([2H])C1=2

Computed Properties

  • Exact Mass: 123.095509703g/mol
  • Monoisotopic Mass: 123.095509703g/mol
  • Isotope Atom Count: 6
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 101
  • 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: 2.1
  • Topological Polar Surface Area: 15.8?2

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