Cas no 161397-68-8 (1H-Indole-5-carbonyl chloride)

1H-Indole-5-carbonyl chloride structure
1H-Indole-5-carbonyl chloride structure
Product Name:1H-Indole-5-carbonyl chloride
CAS No:161397-68-8
MF:C9H6ClNO
MW:179.603041172028
MDL:MFCD22570358
CID:855901
PubChem ID:45081485
Update Time:2025-04-19

1H-Indole-5-carbonyl chloride Chemical and Physical Properties

Names and Identifiers

    • 1H-Indole-5-carbonyl chloride (9CI)
    • 1-Boc-Indole-5-carbonyl chloride
    • 1H-Indole-5-carbonyl chloride
    • F18372
    • 161397-68-8
    • SCHEMBL1616468
    • DTXSID70664638
    • 1H-Indole-5-carbonylchloride
    • AKOS006325803
    • DB-345746
    • MDL: MFCD22570358
    • Inchi: 1S/C9H6ClNO/c10-9(12)7-1-2-8-6(5-7)3-4-11-8/h1-5,11H
    • InChI Key: DJQIAZZRZXXUEB-UHFFFAOYSA-N
    • SMILES: ClC(C1C=CC2=C(C=CN2)C=1)=O

Computed Properties

  • Exact Mass: 178.00605
  • Monoisotopic Mass: 179.014
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 195
  • 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: 2.5
  • Topological Polar Surface Area: 32.9A^2

Experimental Properties

  • PSA: 29.96

1H-Indole-5-carbonyl chloride Pricemore >>

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