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3,4,5-Tribromo-2-(2,4-dibromophenoxy)phenol

PubChem CID: 11952901

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Compound Synonyms 3,4,5-tribromo-2-(2,4-dibromophenoxy)phenol, 35162-01-7, B1LB95ZSV8, 6-OH-Bde 85, UNII-B1LB95ZSV8, Phenol, 3,4,5-tribromo-2-(2,4-dibromophenoxy)-, CHEMBL464577, CHEBI:68326, 6-Hydroxy-2,2',3,4,4'-pentabromodiphenylether, 6-hydroxy-2,2',3,4,4'-pentabromodiphenyl ether, 2-(2,4-Bis(bromanyl)phenoxy)-3,4,5-tris(bromanyl)phenol, SCHEMBL5527228, DTXSID60474586, BDBM50292443, PD181084, NS00077078, 3,4,5-tribromo-2-(2',4'-dibromophenoxy)phenol, 3,4,5-Tribromo-2-(2',4'-dibromo-phenoxy)-phenol, Q27136826, 3,4,5-tribromo-2-(2'', 4''-dibromo-phenoxy)phenol
Topological Polar Surface Area 29.5
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 19.0
Isotope Atom Count 0.0
Molecular Complexity 306.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P16050, P49915, Q07820
Iupac Name 3,4,5-tribromo-2-(2,4-dibromophenoxy)phenol
Prediction Hob 1.0
Target Id NPT792
Xlogp 6.6
Molecular Formula C12H5Br5O2
Prediction Swissadme 0.0
Inchi Key LNZHBUPVHNJGJG-UHFFFAOYSA-N
Fcsp3 0.0
Logs -8.213
Rotatable Bond Count 2.0
Logd 3.077
Compound Name 3,4,5-Tribromo-2-(2,4-dibromophenoxy)phenol
Prediction Hob Swissadme 0.0
Exact Mass 579.617
Formal Charge 0.0
Monoisotopic Mass 575.621
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 580.7
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -7.858046421052633
Inchi InChI=1S/C12H5Br5O2/c13-5-1-2-9(6(14)3-5)19-12-8(18)4-7(15)10(16)11(12)17/h1-4,18H
Smiles C1=CC(=C(C=C1Br)Br)OC2=C(C(=C(C=C2O)Br)Br)Br
Nring 2.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Achillea Leptophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Alibertia Macrophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Dioscorea Futschauensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Dorstenia Barnimiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Oxybasis Urbica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Rubia Ustulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Sedum Forsterianum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Uvaria Mocoli (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Verbascum Georgicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Viguiera Cordifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Zieria Chevalieri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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