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FO7

Summary
Name:{2-bromo-3-(3-chloro-5-fluorophenoxy)-6-[(difluoromethyl)sulfonyl]phenyl}methanol
Formula:C14 H9 Br Cl F3 O4 S
Formal charge:0
Formula weight:445.636 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01{2-bromo-3-(3-chloro-5-fluorophenoxy)-6-[(difluoromethyl)sulfonyl]phenyl}methanol
OpenEye OEToolkits2.0.6[6-[bis(fluoranyl)methylsulfonyl]-2-bromanyl-3-(3-chloranyl-5-fluoranyl-phenoxy)phenyl]methanol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Brc1c(CO)c(ccc1Oc2cc(Cl)cc(c2)F)S(=O)(=O)C(F)F
InChIInChI1.03InChI=1S/C14H9BrClF3O4S/c15-13-10(6-20)12(24(21,22)14(18)19)2-1-11(13)23-9-4-7(16)3-8(17)5-9/h1-5,14,20H,6H2
InChIKeyInChI1.03GREQBABHNZHCOV-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OCc1c(Br)c(Oc2cc(F)cc(Cl)c2)ccc1[S](=O)(=O)C(F)F
SMILESCACTVS3.385OCc1c(Br)c(Oc2cc(F)cc(Cl)c2)ccc1[S](=O)(=O)C(F)F
SMILES_CANONICALOpenEye OEToolkits2.0.6c1cc(c(c(c1Oc2cc(cc(c2)Cl)F)Br)CO)S(=O)(=O)C(F)F
SMILESOpenEye OEToolkits2.0.6c1cc(c(c(c1Oc2cc(cc(c2)Cl)F)Br)CO)S(=O)(=O)C(F)F

224004

건을2024-08-21부터공개중

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