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4O8

Summary
Name:{2-[(4-bromo-2,6-difluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
Formula:C16 H11 Br Cl F2 N O4
Formal charge:0
Formula weight:434.617 Da
Component type:NON-POLYMER

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Fc1c(c(F)cc(Br)c1)CNC(=O)c2ccc(Cl)cc2OCC(=O)O
InChIInChI1.03InChI=1S/C16H11BrClF2NO4/c17-8-3-12(19)11(13(20)4-8)6-21-16(24)10-2-1-9(18)5-14(10)25-7-15(22)23/h1-5H,6-7H2,(H,21,24)(H,22,23)
InChIKeyInChI1.03ITCYRGAOHOZIOB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)COc1cc(Cl)ccc1C(=O)NCc2c(F)cc(Br)cc2F
SMILESCACTVS3.385OC(=O)COc1cc(Cl)ccc1C(=O)NCc2c(F)cc(Br)cc2F
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(cc(cc2F)Br)F
SMILESOpenEye OEToolkits1.7.6c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(cc(cc2F)Br)F

227344

数据于2024-11-13公开中

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