2,4-D Esters
  • CAS Number 1929-73-3
  • Catalog Number io-2086
  • Classification Aryl Halides
  • Molecular Weight 321.2000
  • SMILES CCCCOCCOC(=O)COC1=C(C=C(C=C1)Cl)Cl
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1 2,4-D-butotyl
2 Aqua-Kleen
3 Brush killer 64
4 2-Butoxyethyl 2,4-dichlorophenoxyacetate
5 Weedone LV 4
Molecular Formula C14H18Cl2O4
Canonical SMILES CCCCOCCOC(=O)COC1=C(C=C(C=C1)Cl)Cl
Isomeric SMILES CCCCOCCOC(=O)COC1=C(C=C(C=C1)Cl)Cl
Molecular Weight 321.2000
InChIKey ZMWGIGHRZQTQRE-UHFFFAOYSA-N
InChI InChI=1S/C14H18Cl2O4/c1-2-3-6-18-7-8-19-14(17)10-20-13-5-4-11(15)9-12(13)16/h4-5,9H,2-3,6-8,10H2,1H3
XLogP 4.2000
ExactMass 320.0582
MonoisotopicMass 320.0582
TPSA 44.8000
Complexity 276.0000
Charge 0.0000
HBondDonorCount 0
HBondAcceptorCount 4
RotatableBondCount 10
HeavyAtomCount 20
IsotopeAtomCount 0
AtomStereoCount 0
DefinedAtomStereoCount 0
UndefinedAtomStereoCount 0
BondStereoCount 0
DefinedBondStereoCount 0
UndefinedBondStereoCount 0
CovalentUnitCount 1
PatentCount 2140
PatentFamilyCount 595
LiteratureCount 114