9QT

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Summary

Name:2-(3-chloranyl-5-fluoranyl-phenyl)quinoline-4-carboxylic acid
Formula:C16 H9 Cl F N O2
Formal charge:0
Molecular weight:301.7 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.62-(3-chloranyl-5-fluoranyl-phenyl)quinoline-4-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C16H9ClFNO2/c17-10-5-9(6-11(18)7-10)15-8-13(16(20)21)12-3-1-2-4-14(12)19-15/h1-8H,(H,20,21)
InChIKeyInChI1.03NIKQCFUMVUWEJP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1cc(nc2ccccc12)c3cc(F)cc(Cl)c3
SMILESCACTVS3.385OC(=O)c1cc(nc2ccccc12)c3cc(F)cc(Cl)c3
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc2c(c1)c(cc(n2)c3cc(cc(c3)Cl)F)C(=O)O
SMILESOpenEye OEToolkits2.0.6c1ccc2c(c1)c(cc(n2)c3cc(cc(c3)Cl)F)C(=O)O