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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