Cas no 4592-97-6 (2,5-Cyclohexadiene-1,4-dione,2,3,5-trichloro-6-methyl-)

2,5-Cyclohexadiene-1,4-dione,2,3,5-trichloro-6-methyl- structure
4592-97-6 structure
Product Name:2,5-Cyclohexadiene-1,4-dione,2,3,5-trichloro-6-methyl-
CAS No:4592-97-6
MF:C7H3Cl3O2
MW:225.456519365311
CID:332028
PubChem ID:138301
Update Time:2025-04-19

2,5-Cyclohexadiene-1,4-dione,2,3,5-trichloro-6-methyl- Chemical and Physical Properties

Names and Identifiers

    • 2,5-Cyclohexadiene-1,4-dione,2,3,5-trichloro-6-methyl-
    • Me-triCl-p-benzoquinone radical
    • 2,3,5-trichloro-6-methyl-1,4-benzoquinone
    • 2,4,5-trichloro-3,6-toluquinone
    • 2-methyl-3,5,6-trichloro-1,4-benzoquinone
    • 3.5.6-Trichlor-toluchinon
    • AC1L3CIJ
    • NSC137099
    • SureCN7896994
    • Trichlor-methyl-[1,4]benzochinon
    • trichloro-methyl-[1,4]benzoquinone
    • trichlorotoluquinone
    • 4592-97-6
    • SCHEMBL7896994
    • 2,5-Cyclohexadiene-1,4-dione, 2,3,5-trichloro-6-methyl-
    • 2,3,5-trichloro-6-methylcyclohexa-2,5-diene-1,4-dione
    • DTXSID80196657
    • ZBWPOKNIKGLQBA-UHFFFAOYSA-N
    • NSC-137099
    • NSC 137099
    • Inchi: 1S/C7H3Cl3O2/c1-2-3(8)7(12)5(10)4(9)6(2)11/h1H3
    • InChI Key: ZBWPOKNIKGLQBA-UHFFFAOYSA-N
    • SMILES: ClC1C(C(=C(C(C=1C)=O)Cl)Cl)=O

Computed Properties

  • Exact Mass: 223.91999
  • Monoisotopic Mass: 223.919862g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 339
  • 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: 2.9
  • Topological Polar Surface Area: 34.1?2

Experimental Properties

  • PSA: 34.14

2,5-Cyclohexadiene-1,4-dione,2,3,5-trichloro-6-methyl- Related Literature

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