M15

{5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid

Created:	2013-07-16
Last modified:	2014-04-30

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1 entries where M15 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	0
Bond Count	37
Aromatic Bond Count	12

2D diagram of M15

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Chemical Component Summary
Name	{5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
Systematic Name (OpenEye OEToolkits)	2-[5-chloranyl-2-[(2-fluoranyl-4-iodanyl-phenyl)methylcarbamoyl]phenoxy]ethanoic acid
Formula	C₁₆ H₁₂ Cl F I N O₄
Molecular Weight	463.627
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(c1c(OCC(=O)O)cc(Cl)cc1)NCc2ccc(I)cc2F
SMILES	CACTVS	3.385	OC(=O)COc1cc(Cl)ccc1C(=O)NCc2ccc(I)cc2F
SMILES	OpenEye OEToolkits	1.7.6	c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2ccc(cc2F)I
Canonical SMILES	CACTVS	3.385	OC(=O)COc1cc(Cl)ccc1C(=O)NCc2ccc(I)cc2F
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2ccc(cc2F)I
InChI	InChI	1.03	InChI=1S/C16H12ClFINO4/c17-10-2-4-12(14(5-10)24-8-15(21)22)16(23)20-7-9-1-3-11(19)6-13(9)18/h1-6H,7-8H2,(H,20,23)(H,21,22)
InChIKey	InChI	1.03	ATJRPHWOUZQPIU-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	72836897

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