Benzene, 1,4-dibromo-2-(2,4-dibromophenoxy)-5-methoxy-

Synonyms: 4'-MeO-BDE-49,"4'-Methoxy-2,2',4,5'-tetrabromodiphenyl ether", "2,2',4,5'-tetrabromo-4'-methoxydi-phenyl ether"

Source: 1,4-dibromo-2-(2,4-dibromophenoxy)-5-methoxy-benzene 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: 1,4-dibromo-2-(2,4-dibromophenoxy)-5-methoxybenzene
CAS Number: 602326-26-1
PubChem ID: 11763012
InChiKey: UTKWDYZYAAXSDX-UHFFFAOYSA-N
Canonical SMILES: COC1=CC(=C(C=C1Br)OC2=C(C=C(C=C2)Br)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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