Cas no 108349-58-2 (8-chloro-5H-Pyrido[4,3-b]indole)

8-chloro-5H-Pyrido[4,3-b]indole structure
108349-58-2 structure
Product Name:8-chloro-5H-Pyrido[4,3-b]indole
CAS No:108349-58-2
MF:C11H7ClN2
MW:202.639681100845
CID:1098326
PubChem ID:91665957
Update Time:2025-04-20

8-chloro-5H-Pyrido[4,3-b]indole Chemical and Physical Properties

Names and Identifiers

    • 8-chloro-5H-Pyrido[4,3-b]indole
    • 108349-58-2
    • DB-359995
    • Inchi: 1S/C11H7ClN2/c12-7-1-2-10-8(5-7)9-6-13-4-3-11(9)14-10/h1-6,14H
    • InChI Key: PDFIEXUVXKEKGE-UHFFFAOYSA-N
    • SMILES: ClC1C=CC2=C(C=1)C1C=NC=CC=1N2

Computed Properties

  • Exact Mass: 202.0297759g/mol
  • Monoisotopic Mass: 202.0297759g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 0
  • Complexity: 221
  • 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: 2.9
  • Topological Polar Surface Area: 28.7?2
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