JTK

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Summary

Name:(2~{R})-2-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]propanoic acid
Formula:C15 H11 Cl2 F O2
Formal charge:0
Molecular weight:313.151 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(2~{R})-2-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C15H11Cl2FO2/c1-8(15(19)20)9-2-3-13(14(18)6-9)10-4-11(16)7-12(17)5-10/h2-8H,1H3,(H,19,20)/t8-/m1/s1
InChIKeyInChI1.03WFTMOACTNNIYQO-MRVPVSSYSA-N
SMILES_CANONICALCACTVS3.385C[C@@H](C(O)=O)c1ccc(c(F)c1)c2cc(Cl)cc(Cl)c2
SMILESCACTVS3.385C[CH](C(O)=O)c1ccc(c(F)c1)c2cc(Cl)cc(Cl)c2
SMILES_CANONICALOpenEye OEToolkits2.0.7C[C@H](c1ccc(c(c1)F)c2cc(cc(c2)Cl)Cl)C(=O)O
SMILESOpenEye OEToolkits2.0.7CC(c1ccc(c(c1)F)c2cc(cc(c2)Cl)Cl)C(=O)O