bromopropylate

Synonyms: "isopropyl 4,4'-dibromobenzilate", "phenisobromolate", "acarol", "neoron", "folbex VA", "ascarol 2E", "isopropyl bromobenzilate"

Source: bromopropylate is a non-systemic acaricide with contact action and long residual activity.

Identifiers:

IUPAC Name: propan-2-yl 2,2-bis(4-bromophenyl)-2-hydroxyacetate
CAS Number: 18181-80-1
PubChem ID: 28936
InChiKey: FOANIXZHAMJWOI-UHFFFAOYSA-N
Canonical SMILES: CC(C)OC(=O)C(C1=CC=C(C=C1)Br)(C2=CC=C(C=C2)Br)O

Structural Properties:

Molecular Formula: C₁₇H₁₆Br₂O₃
Molecular Weight: 428.115

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 22

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

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Kojima H, Katsura E, Takeuchi S, Niiyama K, Kobayashi K. 2004. Screening for estrogen and androgen receptor activities in 200 pesticides by in vitro reporter gene assays using Chinese hamster ovary cells. Environ Health Perspect 112(5):524-531.