Cas no 105780-31-2 (Phenol, 2-(2-hydroxyethoxy)-4,5-dinitro-)

Phenol, 2-(2-hydroxyethoxy)-4,5-dinitro- structure
105780-31-2 structure
Product Name:Phenol, 2-(2-hydroxyethoxy)-4,5-dinitro-
CAS No:105780-31-2
MF:C8H8N2O7
MW:244.15832233429
CID:1163169
PubChem ID:13750861
Update Time:2025-04-20

Phenol, 2-(2-hydroxyethoxy)-4,5-dinitro- Chemical and Physical Properties

Names and Identifiers

    • Phenol, 2-(2-hydroxyethoxy)-4,5-dinitro-
    • 2-(2-hydroxyethoxy)-4,5-dinitrophenol
    • 105780-31-2
    • 4,5-dinitro-2-(beta-hydroxyethoxy)phenol
    • XPNCLRZKSGBTJT-UHFFFAOYSA-N
    • SCHEMBL9865389
    • DTXSID20548378
    • Inchi: 1S/C8H8N2O7/c11-1-2-17-8-4-6(10(15)16)5(9(13)14)3-7(8)12/h3-4,11-12H,1-2H2
    • InChI Key: XPNCLRZKSGBTJT-UHFFFAOYSA-N
    • SMILES: O(CCO)C1C(=CC(=C(C=1)[N+](=O)[O-])[N+](=O)[O-])O

Computed Properties

  • Exact Mass: 244.03314
  • Monoisotopic Mass: 244.03315060g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 287
  • 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: 0.5
  • Topological Polar Surface Area: 141?2

Experimental Properties

  • PSA: 135.97

Phenol, 2-(2-hydroxyethoxy)-4,5-dinitro- Related Literature

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