Cas no 121490-68-4 (8-Chloroquinoline-5-carboxylic acid)

8-Chloroquinoline-5-carboxylic acid structure
121490-68-4 structure
Product Name:8-Chloroquinoline-5-carboxylic acid
CAS No:121490-68-4
MF:C10H6ClNO2
MW:207.613141536713
MDL:MFCD24481580
CID:1093689
PubChem ID:283831
Update Time:2025-04-20

8-Chloroquinoline-5-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 8-Chloroquinoline-5-carboxylic acid
    • 8-Chloro-5-quinolinecarboxylic acid
    • DB-197585
    • YCJCLDOHESCJRP-UHFFFAOYSA-N
    • SCHEMBL3899127
    • NSC-139053
    • MFCD24481580
    • 5-Quinolinecarboxylic acid, 8-chloro-
    • AKOS022188348
    • 121490-68-4
    • Z1508940587
    • EN300-193714
    • NSC139053
    • A934416
    • DTXSID701293459
    • 8-chloroquinoline-5-carboxylicacid
    • AS-43039
    • SB71280
    • MDL: MFCD24481580
    • Inchi: 1S/C10H6ClNO2/c11-8-4-3-7(10(13)14)6-2-1-5-12-9(6)8/h1-5H,(H,13,14)
    • InChI Key: YCJCLDOHESCJRP-UHFFFAOYSA-N
    • SMILES: ClC1=CC=C(C(=O)O)C2=CC=CN=C21

Computed Properties

  • Exact Mass: 207.0087061g/mol
  • Monoisotopic Mass: 207.0087061g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 234
  • 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

  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 416.1±25.0 °C at 760 mmHg
  • Flash Point: 205.4±23.2 °C
  • Vapor Pressure: 0.0±1.0 mmHg at 25°C

8-Chloroquinoline-5-carboxylic acid Security Information

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