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Summary

Name:4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2,5-oxadiazole-3-carboxamidine
Formula:C9 H7 Cl F N5 O2
Formal charge:0
Molecular weight:271.636 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.64-azanyl-~{N}-(3-chloranyl-4-fluoranyl-phenyl)-~{N}'-oxidanyl-1,2,5-oxadiazole-3-carboximidamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C9H7ClFN5O2/c10-5-3-4(1-2-6(5)11)13-9(14-17)7-8(12)16-18-15-7/h1-3,17H,(H2,12,16)(H,13,14)
InChIKeyInChI1.03HGXSLPIXNPASGZ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Nc1nonc1C(/Nc2ccc(F)c(Cl)c2)=N\O
SMILESCACTVS3.385Nc1nonc1C(Nc2ccc(F)c(Cl)c2)=NO
SMILES_CANONICALOpenEye OEToolkits2.0.6c1cc(c(cc1N/C(=N/O)/c2c(non2)N)Cl)F
SMILESOpenEye OEToolkits2.0.6c1cc(c(cc1NC(=NO)c2c(non2)N)Cl)F