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2,4-D

CAT: 0127-BUP18881-05Size: 25 gDry Ice: NoHazardous: No
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CAT#:0127-BUP18881-05Size:25 g
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CAS Number
94-75-7
Synonyms
Hedonal, Macondray, 2,4-D acid, Chloroxone
Purity
=98%
Smiles
OC(=O)COC1=CC=C(Cl)C=C1Cl

Chemical Information

(2,4-Dichlorophenoxy)Acetic Acid

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.

CAS Number94-75-7
PubChem CID1486
IUPAC Name2-(2,4-dichlorophenoxy)acetic acid
Molecular FormulaC8H6Cl2O3
Molecular Weight221.03
XLogP2.8
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity186
SMILES
C1=CC(=C(C=C1Cl)Cl)OCC(=O)O
InChI
InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)
InChIKey
OVSKIKFHRZPJSS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2,4-Dichlorophenoxy)Acetic Acid
CAS: 94-75-7
CID: 1486
Formula: C8H6Cl2O3
MW: 221.03
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight221.03
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass219.9693994
Monoisotopic Mass219.9693994
Topological Polar Surface Area46.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity186
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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5989222,4-D-butyl
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