202925-03-9 Purity
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Specification
The PubChem CID of 3-(Trifluoromethoxy)benzyl bromide is 737176.
The molecular formula of 3-(Trifluoromethoxy)benzyl bromide is C8H6BrF3O.
The molecular weight of 3-(Trifluoromethoxy)benzyl bromide is 255.03 g/mol.
The IUPAC name of 3-(Trifluoromethoxy)benzyl bromide is 1-(bromomethyl)-3-(trifluoromethoxy)benzene.
The InChI of 3-(Trifluoromethoxy)benzyl bromide is InChI=1S/C8H6BrF3O/c9-5-6-2-1-3-7(4-6)13-8(10,11)12/h1-4H,5H2.
The InChIKey of 3-(Trifluoromethoxy)benzyl bromide is QSIVWRRHVXSDNE-UHFFFAOYSA-N.
The canonical SMILES of 3-(Trifluoromethoxy)benzyl bromide is C1=CC(=CC(=C1)OC(F)(F)F)CBr.
The CAS number of 3-(Trifluoromethoxy)benzyl bromide is 159689-88-0.
Yes, 3-(Trifluoromethoxy)benzyl bromide is a canonicalized compound.