Cas no 267666-66-0 (1-chloro-7-methoxy-5H-Pyrido[4,3-b]indole)

1-chloro-7-methoxy-5H-Pyrido[4,3-b]indole structure
267666-66-0 structure
Product Name:1-chloro-7-methoxy-5H-Pyrido[4,3-b]indole
CAS No:267666-66-0
MF:C12H9ClN2O
MW:232.66566157341
CID:1110111
PubChem ID:10489774
Update Time:2025-04-20

1-chloro-7-methoxy-5H-Pyrido[4,3-b]indole Chemical and Physical Properties

Names and Identifiers

    • 1-chloro-7-methoxy-5H-Pyrido[4,3-b]indole
    • 267666-66-0
    • DB-354421
    • Inchi: 1S/C12H9ClN2O/c1-16-7-2-3-8-10(6-7)15-9-4-5-14-12(13)11(8)9/h2-6,15H,1H3
    • InChI Key: MRQNBYMGNUXDHW-UHFFFAOYSA-N
    • SMILES: ClC1C2=C(C=CN=1)NC1C=C(C=CC=12)OC

Computed Properties

  • Exact Mass: 232.0403406g/mol
  • Monoisotopic Mass: 232.0403406g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 1
  • Complexity: 263
  • 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: 3.2
  • Topological Polar Surface Area: 37.9?2
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