MK4

{5-chloro-2-[(2,4,6-tribromobenzyl)carbamoyl]phenoxy}acetic acid

Created:	2015-01-14
Last modified:	2016-07-27

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1 entries where MK4 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 MK4

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Chemical Component Summary
Name	{5-chloro-2-[(2,4,6-tribromobenzyl)carbamoyl]phenoxy}acetic acid
Systematic Name (OpenEye OEToolkits)	2-[5-chloranyl-2-[[2,4,6-tris(bromanyl)phenyl]methylcarbamoyl]phenoxy]ethanoic acid
Formula	C₁₆ H₁₁ Br₃ Cl N O₄
Molecular Weight	556.428
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Brc1cc(Br)cc(Br)c1CNC(=O)c2ccc(Cl)cc2OCC(=O)O
SMILES	CACTVS	3.385	OC(=O)COc1cc(Cl)ccc1C(=O)NCc2c(Br)cc(Br)cc2Br
SMILES	OpenEye OEToolkits	1.9.2	c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(cc(cc2Br)Br)Br
Canonical SMILES	CACTVS	3.385	OC(=O)COc1cc(Cl)ccc1C(=O)NCc2c(Br)cc(Br)cc2Br
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(cc(cc2Br)Br)Br
InChI	InChI	1.03	InChI=1S/C16H11Br3ClNO4/c17-8-3-12(18)11(13(19)4-8)6-21-16(24)10-2-1-9(20)5-14(10)25-7-15(22)23/h1-5H,6-7H2,(H,21,24)(H,22,23)
InChIKey	InChI	1.03	MOXQMGQGUBSXPN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	121232443

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