Cas no 5466-50-2 ( )

  structure
  structure
Product Name: 
CAS No:5466-50-2
MF:C10H6N2O4
MW:218.165642261505
CID:942452
PubChem ID:230832
Update Time:2025-04-19

  Chemical and Physical Properties

Names and Identifiers

    • 3-nitroquinoline-4-carboxylic acid
    • 3-Nitro-chinolin-4-carbonsaeure
    • 3-Nitro-cinchoninsaeure
    • 3-nitro-quinoline-4-carboxylic acid
    • AC1L5KDY
    • AC1Q1YAN
    • AG-J-10597
    • AR-1F4691
    • CTK5A2170
    • NSC26138
    • SureCN8569505
    • 5466-50-2
    • SCHEMBL8569505
    • DTXSID90282499
    • NSC-26138
    • 3-nitrocinchoninic acid
    •  
    • Inchi: 1S/C10H6N2O4/c13-10(14)9-6-3-1-2-4-7(6)11-5-8(9)12(15)16/h1-5H,(H,13,14)
    • InChI Key: MCPRYTVBUDRKJB-UHFFFAOYSA-N
    • SMILES: OC(C1C(=CN=C2C=CC=CC=12)[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 218.03278
  • Monoisotopic Mass: 218.033
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 1
  • Complexity: 302
  • 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: 1.5
  • Topological Polar Surface Area: 96?2

Experimental Properties

  • Density: 1.545
  • Boiling Point: 409.1°C at 760 mmHg
  • Flash Point: 201.2°C
  • Refractive Index: 1.718
  • PSA: 93.33
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