JTN

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Summary

Name:1-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]cyclopropane-1-carboxylic acid
Formula:C16 H11 Cl2 F O2
Formal charge:0
Molecular weight:325.162 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.71-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]cyclopropane-1-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C16H11Cl2FO2/c17-11-5-9(6-12(18)8-11)13-2-1-10(7-14(13)19)16(3-4-16)15(20)21/h1-2,5-8H,3-4H2,(H,20,21)
InChIKeyInChI1.03DFJGLZRYGZSQOR-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)C1(CC1)c2ccc(c(F)c2)c3cc(Cl)cc(Cl)c3
SMILESCACTVS3.385OC(=O)C1(CC1)c2ccc(c(F)c2)c3cc(Cl)cc(Cl)c3
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(c(cc1C2(CC2)C(=O)O)F)c3cc(cc(c3)Cl)Cl
SMILESOpenEye OEToolkits2.0.7c1cc(c(cc1C2(CC2)C(=O)O)F)c3cc(cc(c3)Cl)Cl