1,5-Dibromo-2-(2,4-dibromophenoxy)-3-methoxybenzene

Synonyms: 1,5-Dibromo-2-(2,4-dibromophenoxy)-3-methoxybenzene, "6-methoxy-2,2',4,4'-tetrabromodiphenyl ether", "6-MeO-BDE-47", "ACMC-20m5pk", "6MeO-BDE47", "2'-MeO-BDE-47", "1,5-dibromo-2-(2,4-dibromophenoxy)-3-methoxy-benzene"

Source: 1,5-Dibromo-2-(2,4-dibromophenoxy)-3-methoxybenzene is one of the methoxylated PBDEs. Their origin is under discussion, and two major sources have been sugested: as natural products formed in marine ecosystems and as a result of the biotransformation of PBDEs.

Identifiers:

IUPAC Name: 1,5-dibromo-2-(2,4-dibromophenoxy)-3-methoxybenzene
CAS Number: 102739-99-1
PubChem ID: 23249466
InChiKey: ASWWOOJPWUMGBW-UHFFFAOYSA-N
Canonical SMILES: COC1=C(C(=CC(=C1)Br)Br)OC2=C(C=C(C=C2)Br)Br

Structural Properties:

Molecular Formula: C₁₃H₈Br₄O₂
Molecular Weight: 515,799

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 2
Number of atoms different from hydrogen: 19

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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