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XVD

Summary
Name:6-[2-chloro-6-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-ol
Formula:C14 H8 Cl F3 N2 O2
Formal charge:0
Formula weight:328.674 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.016-[2-chloro-6-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-ol
OpenEye OEToolkits2.0.76-[2-chloranyl-6-(trifluoromethyloxy)phenyl]-1~{H}-benzimidazol-2-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n3c2c(cc(c1c(cccc1Cl)OC(F)(F)F)cc2)nc3O
InChIInChI1.03InChI=1S/C14H8ClF3N2O2/c15-8-2-1-3-11(22-14(16,17)18)12(8)7-4-5-9-10(6-7)20-13(21)19-9/h1-6H,(H2,19,20,21)
InChIKeyInChI1.03COBXSLRIXGQVGS-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1[nH]c2cc(ccc2n1)c3c(Cl)cccc3OC(F)(F)F
SMILESCACTVS3.385Oc1[nH]c2cc(ccc2n1)c3c(Cl)cccc3OC(F)(F)F
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(c(c(c1)Cl)c2ccc3c(c2)[nH]c(n3)O)OC(F)(F)F
SMILESOpenEye OEToolkits2.0.7c1cc(c(c(c1)Cl)c2ccc3c(c2)[nH]c(n3)O)OC(F)(F)F

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PDB entries from 2024-09-11

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