1766-41-2 Purity
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Specification
The PubChem CID of 3-(Trifluoromethyl)phenethyl bromide is 594535.
The molecular formula of 3-(Trifluoromethyl)phenethyl bromide is C9H8BrF3.
The molecular weight of 3-(Trifluoromethyl)phenethyl bromide is 253.06 g/mol.
The IUPAC name of 3-(Trifluoromethyl)phenethyl bromide is 1-(2-bromoethyl)-3-(trifluoromethyl)benzene.
The InChI of 3-(Trifluoromethyl)phenethyl bromide is InChI=1S/C9H8BrF3/c10-5-4-7-2-1-3-8(6-7)9(11,12)13/h1-3,6H,4-5H2.
The InChIKey of 3-(Trifluoromethyl)phenethyl bromide is AZLYAPKPZBXCGX-UHFFFAOYSA-N.
The canonical SMILES of 3-(Trifluoromethyl)phenethyl bromide is C1=CC(=CC(=C1)C(F)(F)F)CCBr.
The CAS number of 3-(Trifluoromethyl)phenethyl bromide is 1997-80-4.
The EC number of 3-(Trifluoromethyl)phenethyl bromide is 625-509-0.
Yes, 3-(Trifluoromethyl)phenethyl bromide is a canonicalized compound.