Cas no 100500-10-5 (4,7-Phenanthroline, 3,8-dichloro-)

4,7-Phenanthroline, 3,8-dichloro- structure
100500-10-5 structure
Product Name:4,7-Phenanthroline, 3,8-dichloro-
CAS No:100500-10-5
MF:C12H6Cl2N2
MW:249.095440387726
CID:1128133
PubChem ID:13403483
Update Time:2025-04-20

4,7-Phenanthroline, 3,8-dichloro- Chemical and Physical Properties

Names and Identifiers

    • 4,7-Phenanthroline, 3,8-dichloro-
    • 3,8-dichloro-4,7-phenanthroline
    • 100500-10-5
    • DTXSID80539666
    • Inchi: 1S/C12H6Cl2N2/c13-11-5-1-7-8-2-6-12(14)16-10(8)4-3-9(7)15-11/h1-6H
    • InChI Key: RHYOPHSCZQOANB-UHFFFAOYSA-N
    • SMILES: ClC1=CC=C2C(C=CC3=C2C=CC(=N3)Cl)=N1

Computed Properties

  • Exact Mass: 247.99098
  • Monoisotopic Mass: 247.9908036g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 0
  • Complexity: 235
  • 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: 4.4
  • Topological Polar Surface Area: 25.8?2

Experimental Properties

  • PSA: 25.78
  • LogP: 4.08980
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