Cas no 1076-16-0 (4-Cinnolinol, 5-chloro-)

4-Cinnolinol, 5-chloro- structure
4-Cinnolinol, 5-chloro- structure
Product Name:4-Cinnolinol, 5-chloro-
CAS No:1076-16-0
MF:C8H5ClN2O
MW:180.59110045433
CID:197382
PubChem ID:270910
Update Time:2025-04-19

4-Cinnolinol, 5-chloro- Chemical and Physical Properties

Names and Identifiers

    • 4-Cinnolinol, 5-chloro-
    • 5-chloro-1H-cinnolin-4-one
    • 5-Chlor-4-hydroxycinnolin
    • 5-Chlor-4-hydroxy-cinnolin
    • 5-Chloro-4-cinnolinol
    • 5-chloro-4-hydroxycinnoline
    • 5-chlorocinnolin-4-ol
    • AC1L6PNE
    • AC1Q3P5Q
    • CTK0I0421
    • NSC114070
    • 1076-16-0
    • NSC 114070
    • DTXSID70148105
    • NSC-114070
    • Inchi: 1S/C8H5ClN2O/c9-5-2-1-3-6-8(5)7(12)4-10-11-6/h1-4H,(H,11,12)
    • InChI Key: VGYNFJOQGOSTCP-UHFFFAOYSA-N
    • SMILES: ClC1=CC=CC2=C1C(C=NN2)=O

Computed Properties

  • Exact Mass: 180.00915
  • Monoisotopic Mass: 180.009
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 229
  • 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: 41.5?2

Experimental Properties

  • Density: 1.5
  • Boiling Point: 353.6°Cat760mmHg
  • Flash Point: 167.7°C
  • Refractive Index: 1.688
  • PSA: 46.01
  • LogP: 1.98880

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