3EU

(3,5-dichlorophenyl)acetic acid

Created:	2014-08-12
Last modified:	2014-09-10

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1 entries where 3EU is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	18
Chiral Atom Count	0
Bond Count	18
Aromatic Bond Count	6

2D diagram of 3EU

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Chemical Component Summary
Name	(3,5-dichlorophenyl)acetic acid
Systematic Name (OpenEye OEToolkits)	2-[3,5-bis(chloranyl)phenyl]ethanoic acid
Formula	C₈ H₆ Cl₂ O₂
Molecular Weight	205.038
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1cc(cc(Cl)c1)CC(=O)O
SMILES	CACTVS	3.385	OC(=O)Cc1cc(Cl)cc(Cl)c1
SMILES	OpenEye OEToolkits	1.7.6	c1c(cc(cc1Cl)Cl)CC(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)Cc1cc(Cl)cc(Cl)c1
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1c(cc(cc1Cl)Cl)CC(=O)O
InChI	InChI	1.03	InChI=1S/C8H6Cl2O2/c9-6-1-5(3-8(11)12)2-7(10)4-6/h1-2,4H,3H2,(H,11,12)
InChIKey	InChI	1.03	RERINLRFXYGZEE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	6452487

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.