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Specification
The molecular formula of 4-Bromo-2-(trifluoromethoxy)thiophenol is C7H4BrF3OS.
4-Bromo-2-(trifluoromethoxy)thiophenol was created in PubChem on July 19, 2005.
The molecular weight of 4-Bromo-2-(trifluoromethoxy)thiophenol is 273.07 g/mol.
The IUPAC Name of 4-Bromo-2-(trifluoromethoxy)thiophenol is 4-bromo-2-(trifluoromethoxy)benzenethiol.
The InChI of 4-Bromo-2-(trifluoromethoxy)thiophenol is InChI=1S/C7H4BrF3OS/c8-4-1-2-6(13)5(3-4)12-7(9,10)11/h1-3,13H.
The InChIKey of 4-Bromo-2-(trifluoromethoxy)thiophenol is WWZNHDMEBZHFTK-UHFFFAOYSA-N.
The Canonical SMILES of 4-Bromo-2-(trifluoromethoxy)thiophenol is C1=CC(=C(C=C1Br)OC(F)(F)F)S.
The CAS number of 4-Bromo-2-(trifluoromethoxy)thiophenol is 175278-15-6.
The XLogP3-AA value of 4-Bromo-2-(trifluoromethoxy)thiophenol is 3.9.
Yes, 4-Bromo-2-(trifluoromethoxy)thiophenol is a canonicalized compound in PubChem.