Cas no 503865-68-7 (2-Chloro-3-iodocyclohepta[b]pyrrole)

2-Chloro-3-iodocyclohepta[b]pyrrole structure
503865-68-7 structure
Product Name:2-Chloro-3-iodocyclohepta[b]pyrrole
CAS No:503865-68-7
MF:C9H5ClIN
MW:289.500173330307
CID:2829332
PubChem ID:71442460
Update Time:2025-04-21

2-Chloro-3-iodocyclohepta[b]pyrrole Chemical and Physical Properties

Names and Identifiers

    • 2-Chloro-3-iodocyclohepta[b]pyrrole
    • DTXSID50851347
    • 503865-68-7
    • Inchi: 1S/C9H5ClIN/c10-9-8(11)6-4-2-1-3-5-7(6)12-9/h1-5H
    • InChI Key: UKVULMWRAVIGDW-UHFFFAOYSA-N
    • SMILES: IC1=C(N=C2C=CC=CC=C21)Cl

Computed Properties

  • Exact Mass: 288.91552Da
  • Monoisotopic Mass: 288.91552Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 165
  • 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: 3.5
  • Topological Polar Surface Area: 12.9?2
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