Cas no 62150-40-7 (Pyridine, 4,4'-oxybis-, compd. with 2,4,6-trinitrophenol (1:2))

Pyridine, 4,4'-oxybis-, compd. with 2,4,6-trinitrophenol (1:2) structure
62150-40-7 structure
Product Name:Pyridine, 4,4'-oxybis-, compd. with 2,4,6-trinitrophenol (1:2)
CAS No:62150-40-7
MF:C22H14N8O15
MW:630.391164302826
CID:456264
PubChem ID:71389401
Update Time:2025-04-19

Pyridine, 4,4'-oxybis-, compd. with 2,4,6-trinitrophenol (1:2) Chemical and Physical Properties

Names and Identifiers

    • Pyridine, 4,4'-oxybis-, compd. with 2,4,6-trinitrophenol (1:2)
    • 4-pyridin-4-yloxypyridine,2,4,6-trinitrophenol
    • 2,4,6-Trinitrophenol--4,4'-oxydipyridine (2/1)
    • DTXSID30811404
    • 62150-40-7
    • Inchi: 1S/C10H8N2O.2C6H3N3O7/c1-5-11-6-2-9(1)13-10-3-7-12-8-4-10;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-8H;2*1-2,10H
    • InChI Key: VNQUDWQGSLHFHU-UHFFFAOYSA-N
    • SMILES: OC1C(=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].OC1C(=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].O(C1C=CN=CC=1)C1C=CN=CC=1

Computed Properties

  • Exact Mass: 630.05792
  • Monoisotopic Mass: 630.05786177g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 17
  • Heavy Atom Count: 45
  • Rotatable Bond Count: 2
  • Complexity: 415
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 350?2

Experimental Properties

  • PSA: 334.31
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