3,5-Dibromo-2-(2,4-dibromophenoxy)phenol
PubChem CID: 3086109
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| Compound Synonyms | 3,5-Dibromo-2-(2,4-dibromophenoxy)phenol, 79755-43-4, 6-hydroxy-2,2',4,4'-tetrabromodiphenyl ether, CHEMBL258224, Phenol, 3,5-dibromo-2-(2,4-dibromophenoxy)-, BPE-5, 6-HO-BDE-47, DTXSID60229856, BDBM50232491, SR-1-1, PD181120, 6-Hydroxy-2,2,4,4-tetrabromodiphenyl ether, NS00074046, 6-hydroxy-2,2',4,4'-tetrabromodiphenylether, 3,5-dibromo-2-(2'',4''-dibromophenoxy)phenol |
|---|---|
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 279.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P16050, P49915, Q07820, n.a. |
| Iupac Name | 3,5-dibromo-2-(2,4-dibromophenoxy)phenol |
| Prediction Hob | 1.0 |
| Target Id | NPT792 |
| Xlogp | 5.9 |
| Molecular Formula | C12H6Br4O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SNCQITRZEBFIRW-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -7.202 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.862 |
| Compound Name | 3,5-Dibromo-2-(2,4-dibromophenoxy)phenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 501.706 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 497.71 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 501.79 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.960156133333333 |
| Inchi | InChI=1S/C12H6Br4O2/c13-6-1-2-11(8(15)3-6)18-12-9(16)4-7(14)5-10(12)17/h1-5,17H |
| Smiles | C1=CC(=C(C=C1Br)Br)OC2=C(C=C(C=C2Br)Br)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Achillea Leptophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Alibertia Macrophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Dioscorea Futschauensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Dorstenia Barnimiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Oxybasis Urbica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Rubia Ustulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Sedum Forsterianum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Uvaria Mocoli (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Verbascum Georgicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Viguiera Cordifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Zieria Chevalieri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all