JHY

3-(5,6-DICHLORO-2-OXOBENZO[D]OXAZOL-3(2H)-YL)PROPANOIC ACID

Created:	2015-11-10
Last modified:	2016-01-13

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2 entries where JHY is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	0
Bond Count	25
Aromatic Bond Count	6

2D diagram of JHY

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Chemical Component Summary
Name	3-(5,6-DICHLORO-2-OXOBENZO[D]OXAZOL-3(2H)-YL)PROPANOIC ACID
Systematic Name (OpenEye OEToolkits)	3-[5,6-bis(chloranyl)-2-oxidanylidene-1,3-benzoxazol-3-yl]propanoic acid
Formula	C₁₀ H₇ Cl₂ N O₄
Molecular Weight	276.073
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC(=O)CCN1C(=O)Oc2cc(Cl)c(Cl)cc12
SMILES	OpenEye OEToolkits	1.7.6	c1c2c(cc(c1Cl)Cl)OC(=O)N2CCC(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)CCN1C(=O)Oc2cc(Cl)c(Cl)cc12
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1c2c(cc(c1Cl)Cl)OC(=O)N2CCC(=O)O
InChI	InChI	1.03	InChI=1S/C10H7Cl2NO4/c11-5-3-7-8(4-6(5)12)17-10(16)13(7)2-1-9(14)15/h3-4H,1-2H2,(H,14,15)
InChIKey	InChI	1.03	MIGAKMWKMLYGJX-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL4092205
PubChem	105539874
ChEMBL	CHEMBL4092205

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