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63Z

Summary
Name:[1-[4-chloranyl-3-(trifluoromethyl)phenyl]-1,2,3-triazol-4-yl]methanol
Synonyms:(1-(4-Chloro-3-(trifluoromethyl)phenyl)-1H-1,2,3-triazol-4-yl)methanol
Formula:C10 H7 Cl F3 N3 O
Formal charge:0
Formula weight:277.63 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7[1-[4-chloranyl-3-(trifluoromethyl)phenyl]-1,2,3-triazol-4-yl]methanol

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C10H7ClF3N3O/c11-9-2-1-7(3-8(9)10(12,13)14)17-4-6(5-18)15-16-17/h1-4,18H,5H2
InChIKeyInChI1.03MTSIIXPDVHCKBB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OCc1cn(nn1)c2ccc(Cl)c(c2)C(F)(F)F
SMILESCACTVS3.385OCc1cn(nn1)c2ccc(Cl)c(c2)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(c(cc1n2cc(nn2)CO)C(F)(F)F)Cl
SMILESOpenEye OEToolkits2.0.7c1cc(c(cc1n2cc(nn2)CO)C(F)(F)F)Cl

222415

数据于2024-07-10公开中

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