Cas no 13049-13-3 ([1,1'-Biphenyl]-4,4'-diol,3,3',5,5'-tetrachloro-)

[1,1'-Biphenyl]-4,4'-diol,3,3',5,5'-tetrachloro- structure
13049-13-3 structure
Product Name:[1,1'-Biphenyl]-4,4'-diol,3,3',5,5'-tetrachloro-
CAS No:13049-13-3
MF:C12H6Cl4O2
MW:323.986839771271
CID:173074
PubChem ID:97032
Update Time:2025-04-19

[1,1'-Biphenyl]-4,4'-diol,3,3',5,5'-tetrachloro- Chemical and Physical Properties

Names and Identifiers

    • [1,1'-Biphenyl]-4,4'-diol,3,3',5,5'-tetrachloro-
    • 2,6-dichloro-4-(3,5-dichloro-4-hydroxyphenyl)phenol
    • 4,4'-Biphenyldiol, 3,3',5,5'-tetrachloro-
    • 3,3',5,5'-Tetrachloro-4,4'-biphenyl
    • 3,3',5,5'-tetrachloro-4,4'-diphenol
    • 3,3',5,5'-tetrachlorobiphenyl-4,4'-diol
    • 3,5,3',5'-Tetrachlor-biphenyl-4,4'-diol
    • 3,5,3',5'-tetrachlorobiphenyl-4,4'-diol
    • 3,5,3',5'-TETRACHLORO-BIPHENYL-4,4'-DIOL
    • 3.5.3'.5'-Tetrachlor-4.4'-dioxy-diphenyl
    • 4,4'-Dihydroxy-3,3',5,5'-tetrachlorobiphenyl
    • CHEBI:35434
    • CHEMBL83116
    • Q27094287
    • [1,1'-biphenyl]-4,4'-diol, 3,3',5,5'-tetrachloro-
    • DTXSID5022352
    • NS00002312
    • [1,1'-Biphenyl]-4,4'-diol, 3,3',5,5'-tetrachloro- (9CI)
    • YCYDXOVJXVALHY-UHFFFAOYSA-N
    • 4,4'-Biphenyldiol, 3,3',5,5'-tetrachloro- (8CI)
    • NSC-97348
    • 1g3m
    • Oprea1_420775
    • NSC97348
    • SCHEMBL463718
    • NSC 97348
    • DB03346
    • BIDD:ER0035
    • p,p'-Biphenol, 2,2',6,6'-tetrachloro- (6CI,7CI)
    • 13049-13-3
    • 3,3',5,5'-TETRACHLORO(1,1'-BIPHENYL)-4,4'-DIOL
    • 3,3',5,5'-tetrachloro-[1,1'-biphenyl]-4,4'-diol
    • 4,4/'-Biphenyldiol, 3,3/',5,5/'-tetrachloro-
    • AKOS024341184
    • 3,3',5,5'-Tetrachloro-4,4'-biphenyldiol
    • Cambridge id 5105620
    • PD007065
    • 3,3',5,5'-Tetrachloro[1,1'-biphenyl]-4,4'-diol #
    • OHS8K6J04I
    • BDBM50410534
    • UNII-OHS8K6J04I
    • 3,3',5,5'-Tetrachloro-4,4'-dihydroxybiphenyl(tcdhb)
    • 2g5u
    • (1,1'-BIPHENYL)-4,4'-DIOL, 3,3',5,5'-TETRACHLORO-
    • Inchi： 1S/C12H6Cl4O2/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4,17-18H
    • InChI Key： YCYDXOVJXVALHY-UHFFFAOYSA-N
    • SMILES： ClC1C(=C(C=C(C=1)C1C=C(C(=C(C=1)Cl)O)Cl)Cl)O

Computed Properties

  • Exact Mass: 321.91238
  • Monoisotopic Mass: 321.912190g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 1
  • Complexity: 239
  • 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: 5.4
  • Topological Polar Surface Area: 40.5?2

Experimental Properties

  • PSA: 40.46
  • LogP: 5.37840

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