947534-36-3 Purity
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Specification
The molecular formula is C14H10BrF3O2.
The molecular weight is 347.13 g/mol.
The IUPAC name is 1-bromo-2-[[2-(trifluoromethoxy)phenoxy]methyl]benzene.
The InChI is InChI=1S/C14H10BrF3O2/c15-11-6-2-1-5-10(11)9-19-12-7-3-4-8-13(12)20-14(16,17)18/h1-8H,9H2.
The InChIKey is QGOPWPDVVNZLJK-UHFFFAOYSA-N.
The canonical SMILES is C1=CC=C(C(=C1)COC2=CC=CC=C2OC(F)(F)F)Br.
The CAS number is 947534-45-4.
The XLogP3-AA value is 5.3.
Yes, it is a canonicalized compound.