MCPB

Synonyms: "2-methyl-4-chlorophenoxy gamma-butyric acid", "trifolex", "4-(4-chloro-2-methylphenoxy)butanoic acid", "legumex", "thitrol", "bexone", "trotox", "MCP-butyric", "4MCPB"

Source: 4-(4-chloro-2-methylphenoxy)butanoic acid is a phenoxybutyric herbicide.

Identifiers:

IUPAC Name: 4-(4-chloro-2-methylphenoxy)butanoic acid
CAS Number: 94-81-5
PubChem ID: 7207
InChiKey: LLWADFLAOKUBDR-UHFFFAOYSA-N
Canonical SMILES: CC1=C(C=CC(=C1)Cl)OCCCC(=O)O

Structural Properties:

Molecular Formula: C11H13ClO3
Molecular Weight: 228.672

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 3
Number of atoms different from hydrogen: 15

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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
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Van den Berg KJ, van Raaij JAGM, Bragt PC, Notten WRF. 1991. Interactions of halogenated industrial chemicals with transthyretin and effects on thyroid hormone levels in vivo. Arch Toxicol 65(1):15-19.

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