O0D

(2R)-2-{4-[(3,5-dichloropyridin-2-yl)oxy]phenoxy}propanoic acid

Created:	2019-06-03
Last modified:	2019-06-12

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1 entries where O0D is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	1
Bond Count	33
Aromatic Bond Count	12

2D diagram of O0D

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Chemical Component Summary
Name	(2R)-2-{4-[(3,5-dichloropyridin-2-yl)oxy]phenoxy}propanoic acid
Systematic Name (OpenEye OEToolkits)	(2~{R})-2-[4-[3,5-bis(chloranyl)pyridin-2-yl]oxyphenoxy]propanoic acid
Formula	C₁₄ H₁₁ Cl₂ N O₄
Molecular Weight	328.147
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc2c(Oc1ccc(cc1)OC(C)C(O)=O)ncc(c2)Cl
SMILES	CACTVS	3.385	C[CH](Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	CC(C(=O)O)Oc1ccc(cc1)Oc2c(cc(cn2)Cl)Cl
Canonical SMILES	CACTVS	3.385	C[C@@H](Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	C[C@H](C(=O)O)Oc1ccc(cc1)Oc2c(cc(cn2)Cl)Cl
InChI	InChI	1.03	InChI=1S/C14H11Cl2NO4/c1-8(14(18)19)20-10-2-4-11(5-3-10)21-13-12(16)6-9(15)7-17-13/h2-8H,1H3,(H,18,19)/t8-/m1/s1
InChIKey	InChI	1.03	SVGBNTOHFITEDI-MRVPVSSYSA-N

Related Resource References

Resource Name	Reference
PubChem	728696

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