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1WX

Summary
Name:{2-[(4-bromo-2,3,5,6-tetrafluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
Formula:C16 H9 Br Cl F4 N O4
Formal charge:0
Formula weight:470.598 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01{2-[(4-bromo-2,3,5,6-tetrafluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
OpenEye OEToolkits1.7.62-[2-[[4-bromanyl-2,3,5,6-tetrakis(fluoranyl)phenyl]methylcarbamoyl]-5-chloranyl-phenoxy]ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Fc1c(c(F)c(F)c(Br)c1F)CNC(=O)c2ccc(Cl)cc2OCC(=O)O
InChIInChI1.03InChI=1S/C16H9BrClF4NO4/c17-11-14(21)12(19)8(13(20)15(11)22)4-23-16(26)7-2-1-6(18)3-9(7)27-5-10(24)25/h1-3H,4-5H2,(H,23,26)(H,24,25)
InChIKeyInChI1.03KHMHPWZCDNMQKJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)COc1cc(Cl)ccc1C(=O)NCc2c(F)c(F)c(Br)c(F)c2F
SMILESCACTVS3.385OC(=O)COc1cc(Cl)ccc1C(=O)NCc2c(F)c(F)c(Br)c(F)c2F
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(c(c(c(c2F)F)Br)F)F
SMILESOpenEye OEToolkits1.7.6c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(c(c(c(c2F)F)Br)F)F

222415

건을2024-07-10부터공개중

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