Cas no 65321-24-6 (1-((3-Benzoylpyridinio)methoxymethyl)-2-((hydroxyimino)methyl)pyridinium dichloride)

1-((3-Benzoylpyridinio)methoxymethyl)-2-((hydroxyimino)methyl)pyridinium dichloride structure
65321-24-6 structure
Product Name:1-((3-Benzoylpyridinio)methoxymethyl)-2-((hydroxyimino)methyl)pyridinium dichloride
CAS No:65321-24-6
MF:C20H19Cl2N3O3
MW:420.289162874222
CID:2793744
Update Time:2023-08-07

1-((3-Benzoylpyridinio)methoxymethyl)-2-((hydroxyimino)methyl)pyridinium dichloride Chemical and Physical Properties

Names and Identifiers

    • HGG 12 dichloride
    • 3'-Benzoyl-2-formyl-1,1'-(oxydimethylene)dipyridinium dichloride 2-oxime
    • Pyridinium, 3'-benzoyl-2-formyl-1,1'-(oxydimethylene)di-, dichloride, 2-oxime
    • 1-((3-Benzoylpyridinio)methoxymethyl)-2-((hydroxyimino)methyl)pyridinium dichloride
    • Inchi: 1S/C20H18N3O3.2ClH/c24-20(17-7-2-1-3-8-17)18-9-6-11-22(14-18)15-26-16-23-12-5-4-10-19(23)13-21-25;;/h1-14H,15-16H2;2*1H/q+1;;/p-1
    • InChI Key: WEOUPFRRXAHWCD-UHFFFAOYSA-M
    • SMILES: [Cl-].[Cl-].O(C[N+]1C=CC=CC=1/C=N/O)C[N+]1C=CC=C(C(C2C=CC=CC=2)=O)C=1

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 7
  • Complexity: 465
  • Topological Polar Surface Area: 66.6
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