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MK4

Summary
Name:{5-chloro-2-[(2,4,6-tribromobenzyl)carbamoyl]phenoxy}acetic acid
Formula:C16 H11 Br3 Cl N O4
Formal charge:0
Formula weight:556.428 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01{5-chloro-2-[(2,4,6-tribromobenzyl)carbamoyl]phenoxy}acetic acid
OpenEye OEToolkits1.9.22-[5-chloranyl-2-[[2,4,6-tris(bromanyl)phenyl]methylcarbamoyl]phenoxy]ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Brc1cc(Br)cc(Br)c1CNC(=O)c2ccc(Cl)cc2OCC(=O)O
InChIInChI1.03InChI=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)
InChIKeyInChI1.03MOXQMGQGUBSXPN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)COc1cc(Cl)ccc1C(=O)NCc2c(Br)cc(Br)cc2Br
SMILESCACTVS3.385OC(=O)COc1cc(Cl)ccc1C(=O)NCc2c(Br)cc(Br)cc2Br
SMILES_CANONICALOpenEye OEToolkits1.9.2c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(cc(cc2Br)Br)Br
SMILESOpenEye OEToolkits1.9.2c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(cc(cc2Br)Br)Br

248335

PDB entries from 2026-01-28

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