1,5-Dibromo-3-(2,4-dibromophenoxy)-2-methoxybenzene
PubChem CID: 15884894
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| Compound Synonyms | 1,5-dibromo-3-(2,4-dibromophenoxy)-2-methoxybenzene, 96920-28-4, Benzene, 1,5-dibromo-3-(2,4-dibromophenoxy)-2-methoxy-, 4,6-dibromo-2-(2',4'-dibromo)phenoxyanisole, 2'-MeO-BDE-68, 2MeO-BDE68, CHEMBL220432, DTXSID60579121, NVNCBGPDUILJTG-UHFFFAOYSA-N, 2'-methoxy-2,3',4,5'-tetrabromodiphenyl ether |
|---|---|
| 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;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 1,5-dibromo-3-(2,4-dibromophenoxy)-2-methoxybenzene |
| Prediction Hob | 1.0 |
| Xlogp | 6.2 |
| Molecular Formula | C13H8Br4O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NVNCBGPDUILJTG-UHFFFAOYSA-N |
| Fcsp3 | 0.0769230769230769 |
| Logs | -7.53 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.057 |
| Compound Name | 1,5-Dibromo-3-(2,4-dibromophenoxy)-2-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 | -7.163058621052631 |
| Inchi | InChI=1S/C13H8Br4O2/c1-18-13-10(17)5-8(15)6-12(13)19-11-3-2-7(14)4-9(11)16/h2-6H,1H3 |
| Smiles | COC1=C(C=C(C=C1Br)Br)OC2=C(C=C(C=C2)Br)Br |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
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