FCD

?

Summary

Name:5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACID
Formula:C11 H7 Cl O3
Formal charge:0
Molecular weight:222.624 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.045-(2-chlorophenyl)furan-2-carboxylic acid
OpenEye OEToolkits1.5.05-(2-chlorophenyl)furan-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)c2oc(c1c(Cl)cccc1)cc2
SMILES_CANONICALCACTVS3.341OC(=O)c1oc(cc1)c2ccccc2Cl
SMILESCACTVS3.341OC(=O)c1oc(cc1)c2ccccc2Cl
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(c(c1)c2ccc(o2)C(=O)O)Cl
SMILESOpenEye OEToolkits1.5.0c1ccc(c(c1)c2ccc(o2)C(=O)O)Cl
InChIInChI1.03InChI=1S/C11H7ClO3/c12-8-4-2-1-3-7(8)9-5-6-10(15-9)11(13)14/h1-6H,(H,13,14)
InChIKeyInChI1.03PJGGWIHXGHQXMM-UHFFFAOYSA-N