CFA

(2,4-DICHLOROPHENOXY)ACETIC ACID

Created:	2001-12-05
Last modified:	2021-03-13

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7 entries where CFA is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	19
Aromatic Bond Count	6

2D diagram of CFA

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Chemical Component Summary
Name	(2,4-DICHLOROPHENOXY)ACETIC ACID
Synonyms	2,4-DICHLOROPHENOXYACETIC ACID
Systematic Name (OpenEye OEToolkits)	2-(2,4-dichlorophenoxy)ethanoic acid
Formula	C₈ H₆ Cl₂ O₃
Molecular Weight	221.037
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc1cc(Cl)ccc1OCC(=O)O
SMILES	CACTVS	3.341	OC(=O)COc1ccc(Cl)cc1Cl
SMILES	OpenEye OEToolkits	1.5.0	c1cc(c(cc1Cl)Cl)OCC(=O)O
Canonical SMILES	CACTVS	3.341	OC(=O)COc1ccc(Cl)cc1Cl
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(c(cc1Cl)Cl)OCC(=O)O
InChI	InChI	1.03	InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)
InChIKey	InChI	1.03	OVSKIKFHRZPJSS-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	1486
ChEMBL	CHEMBL367623
ChEBI	CHEBI:28854
CCDC/CSD	CPXACA01, LEWREK, CPXACA, YACNUL, YACNOF, XAPWIU, LABKEI, HAQJIW, HARHIV, RAMLOK, GEDDAY, CPXACA02, HARCAI, RAMKOJ
COD	7243612, 7243608

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