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6QU

Summary
Name:[4-fluoranyl-2,3-bis(oxidanyl)phenyl]-[6-(2-fluoranyl-3-oxidanyl-phenyl)pyridin-2-yl]methanone
Formula:C18 H11 F2 N O4
Formal charge:0
Formula weight:343.281 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.5[4-fluoranyl-2,3-bis(oxidanyl)phenyl]-[6-(2-fluoranyl-3-oxidanyl-phenyl)pyridin-2-yl]methanone

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C18H11F2NO4/c19-11-8-7-10(17(24)18(11)25)16(23)13-5-2-4-12(21-13)9-3-1-6-14(22)15(9)20/h1-8,22,24-25H
InChIKeyInChI1.03ACRZIJAMHSRKJJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1cccc(c1F)c2cccc(n2)C(=O)c3ccc(F)c(O)c3O
SMILESCACTVS3.385Oc1cccc(c1F)c2cccc(n2)C(=O)c3ccc(F)c(O)c3O
SMILES_CANONICALOpenEye OEToolkits2.0.5c1cc(c(c(c1)O)F)c2cccc(n2)C(=O)c3ccc(c(c3O)O)F
SMILESOpenEye OEToolkits2.0.5c1cc(c(c(c1)O)F)c2cccc(n2)C(=O)c3ccc(c(c3O)O)F

223166

數據於2024-07-31公開中

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