Cas no 69606-16-2 (Ethanone, 2,2-dihydroxy-1-(2,4,5-trichlorophenyl)-)

Ethanone, 2,2-dihydroxy-1-(2,4,5-trichlorophenyl)- structure
69606-16-2 structure
Product Name:Ethanone, 2,2-dihydroxy-1-(2,4,5-trichlorophenyl)-
CAS No:69606-16-2
MF:C8H5Cl3O3
MW:255.482499837875
CID:1738372
PubChem ID:85972340
Update Time:2025-04-21

Ethanone, 2,2-dihydroxy-1-(2,4,5-trichlorophenyl)- Chemical and Physical Properties

Names and Identifiers

    • Ethanone, 2,2-dihydroxy-1-(2,4,5-trichlorophenyl)-
    • 69606-16-2
    • 2,2-Dihydroxy-1-(2,4,5-trichlorophenyl)ethan-1-one
    • Inchi: 1S/C8H5Cl3O3/c9-4-2-6(11)5(10)1-3(4)7(12)8(13)14/h1-2,8,13-14H
    • InChI Key: ABFZUCSXONSQCI-UHFFFAOYSA-N
    • SMILES: ClC1C=C(C(=CC=1C(C(O)O)=O)Cl)Cl

Computed Properties

  • Exact Mass: 253.93055
  • Monoisotopic Mass: 253.930427g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 222
  • 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: 2.3
  • Topological Polar Surface Area: 57.5?2

Experimental Properties

  • PSA: 57.53
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