Cas no 14512-84-6 (Phenol,3,5-dinitro-, dihydrogen phosphate (ester) (8CI,9CI))

Phenol,3,5-dinitro-, dihydrogen phosphate (ester) (8CI,9CI) structure
14512-84-6 structure
Product Name:Phenol,3,5-dinitro-, dihydrogen phosphate (ester) (8CI,9CI)
CAS No:14512-84-6
MF:C6H5N2O8P
MW:264.086262464523
CID:234556
PubChem ID:151920
Update Time:2025-04-19

Phenol,3,5-dinitro-, dihydrogen phosphate (ester) (8CI,9CI) Chemical and Physical Properties

Names and Identifiers

    • Phenol,3,5-dinitro-, dihydrogen phosphate (ester) (8CI,9CI)
    • 3,5-dinitrophenyl phosphate
    • 3,5-dinitrophenyl dihydrogen phosphate
    • Phenol, 3,5-dinitro-, dihydrogen phosphate (ester)
    • DTXSID00932498
    • 14512-84-6
    • (3,5-dinitrophenyl) dihydrogen phosphate
    • 3,5-Dinitrophenylphosphate
    • Inchi: 1S/C6H5N2O8P/c9-7(10)4-1-5(8(11)12)3-6(2-4)16-17(13,14)15/h1-3H,(H2,13,14,15)
    • InChI Key: FINQJAOKEWHFOX-UHFFFAOYSA-N
    • SMILES: P(=O)(O)(O)OC1C=C(C=C(C=1)[N+](=O)[O-])[N+](=O)[O-]

Computed Properties

  • Exact Mass: 263.97835
  • Monoisotopic Mass: 263.97835212g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 334
  • 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: -0.1
  • Topological Polar Surface Area: 158?2

Experimental Properties

  • PSA: 153.04

Phenol,3,5-dinitro-, dihydrogen phosphate (ester) (8CI,9CI) Related Literature

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