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IU9

Summary
Name:N-(2-chloranyl-4-fluoranyl-phenyl)-2-selanyl-benzamide
Formula:C13 H9 Cl F N O Se
Formal charge:0
Formula weight:328.628 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-(2-chloranyl-4-fluoranyl-phenyl)-2-selanyl-benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C13H9ClFNOSe/c14-10-7-8(15)5-6-11(10)16-13(17)9-3-1-2-4-12(9)18/h1-7,18H,(H,16,17)
InChIKeyInChI1.06FAXAPSRLOFVXJE-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Fc1ccc(NC(=O)c2ccccc2[SeH])c(Cl)c1
SMILESCACTVS3.385Fc1ccc(NC(=O)c2ccccc2[SeH])c(Cl)c1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(c(c1)C(=O)Nc2ccc(cc2Cl)F)[SeH]
SMILESOpenEye OEToolkits2.0.7c1ccc(c(c1)C(=O)Nc2ccc(cc2Cl)F)[SeH]

222415

數據於2024-07-10公開中

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