Cas no 948289-44-9 (6-chloro-8-methyl-quinoline-2,3-dicarboxylic acid)

6-chloro-8-methyl-quinoline-2,3-dicarboxylic acid structure
948289-44-9 structure
Product Name:6-chloro-8-methyl-quinoline-2,3-dicarboxylic acid
CAS No:948289-44-9
MF:C12H8ClNO4
MW:265.649222373962
CID:870549
PubChem ID:17039994
Update Time:2025-04-19

6-chloro-8-methyl-quinoline-2,3-dicarboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 6-chloro-8-methyl-quinoline-2,3-dicarboxylic acid
    • 6-CHLORO-8-METHYLQUINOLINE-2,3-DICARBOXYLIC ACID
    • DTXSID30589136
    • 948289-44-9
    • MFCD09787821
    • AB52312
    • FT-0759485
    • DB-080037
    • Inchi: 1S/C12H8ClNO4/c1-5-2-7(13)3-6-4-8(11(15)16)10(12(17)18)14-9(5)6/h2-4H,1H3,(H,15,16)(H,17,18)
    • InChI Key: OJDUVKWEAZRCMD-UHFFFAOYSA-N
    • SMILES: ClC1C=C(C)C2C(C=1)=CC(C(=O)O)=C(C(=O)O)N=2

Computed Properties

  • Exact Mass: 265.01400
  • Monoisotopic Mass: 265.0141854g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 362
  • 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: 2.6
  • Topological Polar Surface Area: 87.5?2

Experimental Properties

  • PSA: 87.49000
  • LogP: 2.59300

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