Cas no 76523-40-5 (2,3,7,8-Tetrachloro-p-dioxin-13C12)

2,3,7,8-Tetrachloro-p-dioxin-13C12 structure
76523-40-5 structure
Product Name:2,3,7,8-Tetrachloro-p-dioxin-13C12
CAS No:76523-40-5
MF:C12H4Cl4O2
MW:333.882817268372
CID:578189
PubChem ID:156712
Update Time:2025-04-19

2,3,7,8-Tetrachloro-p-dioxin-13C12 Chemical and Physical Properties

Names and Identifiers

    • Dibenzo[b,e][1,4]dioxin-13C12,2,3,7,8-tetrachloro- (9CI)
    • 2,3,7,8-tetrachlorodibenzo-p-dioxin
    • C-132,3,7,8-TCDD
    • Dibenzo(b,e)(1,4)dioxin-13C12, 2,3,7,8-tetrachloro-
    • NS00066915
    • 2,3,7,8-Tetrachloro-p-dioxin-13C12
    • DTXSID60227332
    • 76523-40-5
    • Inchi: 1S/C12H4Cl4O2/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)3-11(12)17-9/h1-4H/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1
    • InChI Key: HGUFODBRKLSHSI-WCGVKTIYSA-N
    • SMILES: Cl[13C]1[13C](=[13CH][13C]2=[13C]([13CH]=1)O[13C]1[13CH]=[13C]([13C](=[13CH][13C]=1O2)Cl)Cl)Cl

Computed Properties

  • Exact Mass: 333.933848
  • Monoisotopic Mass: 331.936798
  • Isotope Atom Count: 12
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 0
  • Complexity: 259
  • 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: 6.4
  • Topological Polar Surface Area: 18.5

Experimental Properties

  • Density: 1.643
  • Refractive Index: 1.655

2,3,7,8-Tetrachloro-p-dioxin-13C12 Pricemore >>

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