Cas no 39068-98-9 (2-Chloro-9-bromo-1,10-phenanthroline)

2-Chloro-9-bromo-1,10-phenanthroline structure
39068-98-9 structure
Product Name:2-Chloro-9-bromo-1,10-phenanthroline
CAS No:39068-98-9
MF:C12H6BrClN2
MW:293.546440601349
CID:5037774
Update Time:2023-08-25

2-Chloro-9-bromo-1,10-phenanthroline Chemical and Physical Properties

Names and Identifiers

    • 2-Chloro-9-bromo-1,10-phenanthroline
    • Inchi: 1S/C12H6BrClN2/c13-9-5-3-7-1-2-8-4-6-10(14)16-12(8)11(7)15-9/h1-6H
    • InChI Key: QYBRMZKMKGJRMI-UHFFFAOYSA-N
    • SMILES: BrC1=CC=C2C=CC3=CC=C(N=C3C2=N1)Cl

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 0
  • Complexity: 263
  • XLogP3: 4.4
  • Topological Polar Surface Area: 25.8
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