CAS
4965-36-0 Purity
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4965-36-0 Purity
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The molecular formula is C8H6BrF3O.
The molecular weight is 255.03 g/mol.
The IUPAC name is 1-(bromomethyl)-2-(trifluoromethoxy)benzene.
The InChI is InChI=1S/C8H6BrF3O/c9-5-6-3-1-2-4-7(6)13-8(10,11)12/h1-4H,5H2.
The InChIKey is TUNSVUOTVLWNQT-UHFFFAOYSA-N.
The canonical SMILES is C1=CC=C(C(=C1)CBr)OC(F)(F)F.
The CAS number is 198649-68-2.
The EC number is 642-461-6.
The DSSTox Substance ID is DTXSID80380438.
Yes, it is canonicalized.