Cas no 834884-08-1 (2-Quinolinecarboxylic acid, 6-chloro-3-fluoro-)

2-Quinolinecarboxylic acid, 6-chloro-3-fluoro- structure
834884-08-1 structure
Product Name:2-Quinolinecarboxylic acid, 6-chloro-3-fluoro-
CAS No:834884-08-1
MF:C10H5ClFNO2
MW:225.603605031967
CID:670761
PubChem ID:12189471
Update Time:2025-04-19

2-Quinolinecarboxylic acid, 6-chloro-3-fluoro- Chemical and Physical Properties

Names and Identifiers

    • 2-Quinolinecarboxylic acid, 6-chloro-3-fluoro-
    • 6-Chloro-3-Fluoroquinoline-2-carboxylic acid
    • 2-Quinolinecarboxylic acid,6-chloro-3-fluoro
    • 834884-08-1
    • DTXSID70479744
    • AKOS024263634
    • FT-0742508
    • Inchi: 1S/C10H5ClFNO2/c11-6-1-2-8-5(3-6)4-7(12)9(13-8)10(14)15/h1-4H,(H,14,15)
    • InChI Key: LYGCRCOMABQCRP-UHFFFAOYSA-N
    • SMILES: ClC1C=CC2C(C=1)=CC(=C(C(=O)O)N=2)F

Computed Properties

  • Exact Mass: 224.99900
  • Monoisotopic Mass: 224.9992843g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 264
  • 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: 2.8
  • Topological Polar Surface Area: 50.2?2

Experimental Properties

  • PSA: 50.19000
  • LogP: 2.72550
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