1,5-Dibromo-2-(2,4-dibromophenoxy)-3-methoxybenzene
PubChem CID: 23249466
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| Compound Synonyms | 1,5-Dibromo-2-(2,4-dibromophenoxy)-3-methoxybenzene, 102739-99-1, Benzene, 1,5-dibromo-2-(2,4-dibromophenoxy)-3-methoxy-, 6-methoxy-2,2',4,4'-tetrabromodiphenyl ether, 6-MeO-BDE-47, 6MeO-BDE47, 2'-MeO-BDE-47, DTXSID80631538, ASWWOOJPWUMGBW-UHFFFAOYSA-N, NS00077106, 1,5-dibromo-2-(2,4-dibromophenoxy)-3-methoxy-benzene |
|---|---|
| Topological Polar Surface Area | 18.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 292.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,5-dibromo-2-(2,4-dibromophenoxy)-3-methoxybenzene |
| Prediction Hob | 1.0 |
| Xlogp | 6.2 |
| Molecular Formula | C13H8Br4O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ASWWOOJPWUMGBW-UHFFFAOYSA-N |
| Fcsp3 | 0.0769230769230769 |
| Logs | -7.668 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.138 |
| Compound Name | 1,5-Dibromo-2-(2,4-dibromophenoxy)-3-methoxybenzene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 515.722 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 511.726 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 515.799 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.16305862105263 |
| Inchi | InChI=1S/C13H8Br4O2/c1-18-12-6-8(15)5-10(17)13(12)19-11-3-2-7(14)4-9(11)16/h2-6H,1H3 |
| Smiles | COC1=C(C(=CC(=C1)Br)Br)OC2=C(C=C(C=C2)Br)Br |
| 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 - 2. Outgoing r'ship
FOUND_INto/from Alibertia Macrophylla (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Dioscorea Futschauensis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Dorstenia Barnimiana (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Oxybasis Urbica (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Rubia Ustulata (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Sedum Forsterianum (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Uvaria Mocoli (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Verbascum Georgicum (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Viguiera Cordifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Zieria Chevalieri (Plant) Rel Props:Source_db:cmaup_ingredients