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Benzene, 1,5-dibromo-2-(3,5-dibromo-2-methoxyphenoxy)-3-methoxy-

PubChem CID: 11978812

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Compound Synonyms 76652-99-8, DTXSID80475090, Benzene, 1,5-dibromo-2-(3,5-dibromo-2-methoxyphenoxy)-3-methoxy-, CHEMBL221215, DTXCID90425900, 2',6-dimethoxy-2,3',4,5'-tetrabromodiphenyl ether
Topological Polar Surface Area 27.7
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 21.0
Isotope Atom Count 0.0
Molecular Complexity 333.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 1,5-dibromo-2-(3,5-dibromo-2-methoxyphenoxy)-3-methoxybenzene
Prediction Hob 1.0
Xlogp 6.2
Molecular Formula C14H10Br4O3
Prediction Swissadme 0.0
Inchi Key RUJCIUYVRUQTQY-UHFFFAOYSA-N
Fcsp3 0.1428571428571428
Logs -7.723
Rotatable Bond Count 4.0
Logd 3.205
Compound Name Benzene, 1,5-dibromo-2-(3,5-dibromo-2-methoxyphenoxy)-3-methoxy-
Prediction Hob Swissadme 0.0
Exact Mass 545.732
Formal Charge 0.0
Monoisotopic Mass 541.736
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 545.8
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -7.263908542857142
Inchi InChI=1S/C14H10Br4O3/c1-19-11-5-7(15)4-10(18)14(11)21-12-6-8(16)3-9(17)13(12)20-2/h3-6H,1-2H3
Smiles COC1=C(C(=CC(=C1)Br)Br)OC2=C(C(=CC(=C2)Br)Br)OC
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 Bombax Ceiba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Crepis Foetida (Plant) Rel Props:Source_db:npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Dioscorea Futschauensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Dorstenia Barnimiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Juniperus Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Monachosorum Henryi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Oxybasis Urbica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Rothia Indica (Plant) Rel Props:Source_db:npass_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Rubia Ustulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Salvia Karabachensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 13. Outgoing r'ship FOUND_IN to/from Sedum Forsterianum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 14. Outgoing r'ship FOUND_IN to/from Uvaria Mocoli (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 15. Outgoing r'ship FOUND_IN to/from Verbascum Georgicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 16. Outgoing r'ship FOUND_IN to/from Viguiera Cordifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 17. Outgoing r'ship FOUND_IN to/from Zieria Chevalieri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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