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FCR

Summary
Name:ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL
Formula:C7 H5 F3 O
Formal charge:0
Formula weight:162.109 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.044-(trifluoromethyl)phenol
OpenEye OEToolkits1.5.04-(trifluoromethyl)phenol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04FC(F)(F)c1ccc(O)cc1
SMILES_CANONICALCACTVS3.341Oc1ccc(cc1)C(F)(F)F
SMILESCACTVS3.341Oc1ccc(cc1)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(ccc1C(F)(F)F)O
SMILESOpenEye OEToolkits1.5.0c1cc(ccc1C(F)(F)F)O
InChIInChI1.03InChI=1S/C7H5F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4,11H
InChIKeyInChI1.03BAYGVMXZJBFEMB-UHFFFAOYSA-N

218853

PDB entries from 2024-04-24

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