Cas no 59412-13-4 (Quinoline, 2,5-dichloro-3-phenyl-)

Quinoline, 2,5-dichloro-3-phenyl- structure
59412-13-4 structure
Product Name:Quinoline, 2,5-dichloro-3-phenyl-
CAS No:59412-13-4
MF:C15H9Cl2N
MW:274.144661664963
CID:338731
PubChem ID:12278044
Update Time:2025-04-19

Quinoline, 2,5-dichloro-3-phenyl- Chemical and Physical Properties

Names and Identifiers

    • Quinoline, 2,5-dichloro-3-phenyl-
    • 2,5-dichloro-3-phenylquinoline
    • DTXSID90483808
    • 59412-13-4
    • SCHEMBL11599658
    • Inchi: 1S/C15H9Cl2N/c16-13-7-4-8-14-12(13)9-11(15(17)18-14)10-5-2-1-3-6-10/h1-9H
    • InChI Key: MOTALRWMDPNNSC-UHFFFAOYSA-N
    • SMILES: ClC1=C(C2C=CC=CC=2)C=C2C(=CC=CC2=N1)Cl

Computed Properties

  • Exact Mass: 273.01137
  • Monoisotopic Mass: 273.0112047g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 1
  • Complexity: 278
  • 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: 5.4
  • Topological Polar Surface Area: 12.9?2

Experimental Properties

  • PSA: 12.89
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