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4-Chlorophenoxyacetic acid sodium

CAT: 0013-GTR19246541Size: 25 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19246541Size:25 g
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Description
4-Chlorophenoxyacetic acid (sodium) (4-CPA (sodium) ; p-Chlorophenoxyacetic acid (sodium) ) is a chlorinated phenolic compound that functions as both a plant growth regulator and herbicide. At low concentrations, it promotes plant growth, while at high concentrations, it inhibits growth, particularly in dicotyledonous plants. This compound can serve as a biochemical material or organic compound in life sciences research.
CAS Number
13730-98-8
Smiles
O=C (O[Na]) COC1=CC=C (Cl) C=C1
Molecular Formula
C8H6ClNaO3
Molecular Weight
208.57
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Sodium p-chlorophenoxyacetate
CAS Number13730-98-8
PubChem CID23675789
IUPAC Namesodium 2-(4-chlorophenoxy)acetate
Molecular FormulaC8H6ClNaO3
Molecular Weight208.57
Topological Polar Surface Area49.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity157
SMILES
C1=CC(=CC=C1OCC(=O)[O-])Cl.[Na+]
InChI
InChI=1S/C8H7ClO3.Na/c9-6-1-3-7(4-2-6)12-5-8(10)11;/h1-4H,5H2,(H,10,11);/q;+1/p-1
InChIKey
CETFXLWWGIUWAI-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Sodium p-chlorophenoxyacetate
CAS: 13730-98-8
CID: 23675789
Formula: C8H6ClNaO3
MW: 208.57
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight208.57
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass207.9903160
Monoisotopic Mass207.9903160
Topological Polar Surface Area49.4 Ų
Heavy Atom Count13
Formal Charge0
Complexity157
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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