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H1L

Summary
Name:(2R)-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid
Synonyms:HALOXYFOP INHIBITOR, R enantiomer
Formula:C15 H11 Cl F3 N O4
Formal charge:0
Formula weight:361.7 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2R)-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid
OpenEye OEToolkits1.7.6(2R)-2-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)C(Oc2ccc(Oc1ncc(cc1Cl)C(F)(F)F)cc2)C
SMILES_CANONICALCACTVS3.370C[C@@H](Oc1ccc(Oc2ncc(cc2Cl)C(F)(F)F)cc1)C(O)=O
SMILESCACTVS3.370C[CH](Oc1ccc(Oc2ncc(cc2Cl)C(F)(F)F)cc1)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.6C[C@H](C(=O)O)Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl
SMILESOpenEye OEToolkits1.7.6CC(C(=O)O)Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl
InChIInChI1.03InChI=1S/C15H11ClF3NO4/c1-8(14(21)22)23-10-2-4-11(5-3-10)24-13-12(16)6-9(7-20-13)15(17,18)19/h2-8H,1H3,(H,21,22)/t8-/m1/s1
InChIKeyInChI1.03GOCUAJYOYBLQRH-MRVPVSSYSA-N

219869

PDB entries from 2024-05-15

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