Molecular Identity
2,4-dichlorophenoxyacetic acid
2-(2,4-dichlorophenoxy)acetic acid
PubChem CID: 1486
2,4-D is a chlorophenoxyacetic acid that is phenoxyacetic acid in which the ring hydrogens at postions 2 and 4 are substituted by chlorines. It has a role as a defoliant, a synthetic auxin, an agrochemical, a phenoxy herbicide, an EC 1.1.1.25 (shikimate dehydrogenase) inhibitor and an environmental contaminant. It is a chlorophenoxyacetic acid and a dichlorobenzene. It is a conjugate acid of a (2,4-dichlorophenoxy)acetate.
2D Structure
Properties
C8H6Cl2O3
Molecular Formula
221.03
Molecular Weight
g/mol
219.9694
Exact Mass
Da
2.8
XLogP
Drug-like (Lipinski: < 5)
46.5
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
186
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
2,4-dichlorophenoxyacetic acid94-75-72-(2,4-dichlorophenoxy)acetic acid2,4-D(2,4-Dichlorophenoxy)acetic acidDicopurRhodiaB-SelektononChloroxoneFernimineNetagroneVergemasterAgrotectAmoxoneDormone
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 2,4-dichlorophenoxyacetic acid
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