Cas no 14094-47-4 (Quinoline,3-methoxy-4-nitro-, 1-oxide)

Quinoline,3-methoxy-4-nitro-, 1-oxide structure
14094-47-4 structure
Product Name:Quinoline,3-methoxy-4-nitro-, 1-oxide
CAS No:14094-47-4
MF:C10H8N2O4
MW:220.181522369385
CID:218291
PubChem ID:167000
Update Time:2025-04-19

Quinoline,3-methoxy-4-nitro-, 1-oxide Chemical and Physical Properties

Names and Identifiers

    • Quinoline,3-methoxy-4-nitro-, 1-oxide
    • 3-methoxy-4-nitro-1-oxidoquinolin-1-ium
    • CHEMBL3244962
    • 14094-47-4
    • DTXSID10161499
    • Quinoline, 3-methoxy-4-nitro-, 1-oxide
    • 3-methoxy-4-nitroquinoline 1-oxide
    • Inchi: 1S/C10H8N2O4/c1-16-9-6-11(13)8-5-3-2-4-7(8)10(9)12(14)15/h2-6H,1H3
    • InChI Key: SEDHYBDWEGMQLO-UHFFFAOYSA-N
    • SMILES: O(C)C1=C[N+](=C2C=CC=CC2=C1[N+](=O)[O-])[O-]

Computed Properties

  • Exact Mass: 220.04844
  • Monoisotopic Mass: 220.04840674g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 1
  • Complexity: 268
  • 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: 0.7
  • Topological Polar Surface Area: 80.5?2

Experimental Properties

  • PSA: 79.31
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