2-Ethylhexyl 2,3,4,5-Tetrabromobenzoate

Synonyms: 2-Ethylhexyl 2,3,4,5-Tetrabromobenzoate, "Benzoic acid, 2,3,4,5-tetrabromo-, 2-ethylhexyl ester", "2,3,4,5-Tetrabromobenzoic Acid 2-Ethylhexyl Ester", "2-Ethylhexyl-2,3,4,5-tetrabromobenzoate", "2-Ethylhexyltetrabromobenzoate"

Source: 2-Ethylhexyl 2,3,4,5-Tetrabromobenzoate is used as a flame retardant.

Identifiers:

IUPAC Name: 2-ethylhexyl 2,3,4,5-tetrabromobenzoate
CAS Number: 183658-27-7
PubChem ID: 71316600
InChiKey: HVDXCGSGEQKWGB-UHFFFAOYSA-N
Canonical SMILES: CCCCC(CC)COC(=O)C1=CC(=C(C(=C1Br)Br)Br)Br

Structural Properties:

Molecular Formula: C₁₅H₁₈Br₄O₂
Molecular Weight: 549,900

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 2
Number of atoms different from hydrogen: 21

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

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