Cas no 21168-46-7 ( )

  structure
  structure
Product Name: 
CAS No:21168-46-7
MF:C10H8ClNO
MW:193.629621505737
MDL:MFCD18253826
CID:911237
PubChem ID:224397
Update Time:2025-04-19

  Chemical and Physical Properties

Names and Identifiers

    • AC1L71LJ; NSC190673; ZINC00343442; (4-Chlor-[2]pyridyloxy)-essigsaeure-aethylester; ethyl 2-(4-chloropyridin-2-yloxy)acetate; (4-chloroquinolin-3-yl)methanol; (4-chloro-[3]quinolyl)-methanol; 4-chloro-3-quinolinemethanol; SBB095156; AC-907/34127018; CTK5G7675; (4-chloro-[2]pyridyloxy)-acetic acid ethyl ester; ETHYL 2-(4-CHLORO(PYRIDIN-2-YL))OXYACETATE; 4-Chlor-3-hydroxymethyl-chinolin; (4-Chlor-[3]chinolyl)-methanol;
    • NSC12796
    • DB-153839
    • 4-Chloro-3-quinolinemethanol
    • 21168-46-7
    • SCHEMBL844114
    • NSC-12796
    • (4-chloroquinolin-3-yl)methanol
    • 3-Quinolinemethanol, 4-chloro-
    • (4-Chloro-3-quinolinyl)methanol #
    • DTXSID50943498
    •  
    • MDL: MFCD18253826
    • Inchi: 1S/C10H8ClNO/c11-10-7(6-13)5-12-9-4-2-1-3-8(9)10/h1-5,13H,6H2
    • InChI Key: NJXFOKUONAXUBE-UHFFFAOYSA-N
    • SMILES: ClC1C(CO)=CN=C2C=CC=CC2=1

Computed Properties

  • Exact Mass: 193.02954
  • Monoisotopic Mass: 193.029
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 176
  • 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: 1.9
  • Topological Polar Surface Area: 33.1?2

Experimental Properties

  • Density: 1.358
  • Boiling Point: 343.1°C at 760 mmHg
  • Flash Point: 161.3°C
  • Refractive Index: 1.674
  • PSA: 33.12
  • LogP: 2.38050

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