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Benzene, 1,2,4,5-tetrachloro-3-iodo- structure

Benzene, 1,2,4,5-tetrachloro-3-iodo-

 
1. Names and Identifiers
1.1 Name
Benzene, 1,2,4,5-tetrachloro-3-iodo-
1.2 Synonyms
1,2,4,5-Tetrachlor-3-jod-benzol; 1,2,4,5-Tetrachlorjodbenzol; 1,2,4,5-Tetrachloro-3-iodobenzene; 1,2,4,5-tetrachloro-3-iodo-benzene; 1,2,4,5-tetrachloroiodobenzene; 1-IODO-2,3,5,6-TETRACHLOROBENZENE; 2,3,5,6-Tetrachloriodbenzol; 2,3,5,6-Tetrachloroiodobenzene; Benzene,1,2,4,5-tetrachloro-3-iodo; HMS551A20; MFCD00051754;
1.3 CAS No.
32770-82-4
1.4 CID
520590
1.5 Molecular Formula
C6HCl4I
1.6 Inchi
InChI=1S/C6HCl4I/c7-2-1-3(8)5(10)6(11)4(2)9/h1H
1.7 InChkey
OUOGYOBZKZJEQN-UHFFFAOYSA-N
1.8 Canonical Smiles
c1c(c(c(c(c1Cl)Cl)I)Cl)Cl
1.9 Isomers Smiles
C1C(Cl)=C(Cl)C(I)=C(Cl)C=1Cl
2. Synthesis Route
32770-82-4Total: 3 Synthesis Route
 
95-94-3
95-94-3 47 Suppliers
 
 
608-93-5
608-93-5 16 Suppliers
 
95-94-3
95-94-3 47 Suppliers
 
 
16478-18-5
16478-18-5 10 Suppliers
3. Precursor and Product
4. Computed Properties
  • Molecular Weight:341.789 g/mol
  • Molecular Formula:C6HCl4I
  • Compound Is Canonicalized:True
  • Exact Mass:5.1
  • XLogP3-AA:341.78476
  • Monoisotopic Mass:339.78771
  • Complexity:129
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:0
  • Heavy Atom Count::11
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint:AAADcQBgAAAHAgAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGAIgAAAACAKCECAwAIAAAACAACBCAAACAAAgBQAAikAAAogIICKBEhCAIAAggAAIiAcAAAAAAAAQAACAAAQAACAAAQAACAAAAAAAAA==
5. Realated Product Infomation
 
 
 
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