80866-80-4 Purity
96%
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Specification
The molecular formula of 4-Fluorobenzotrifluoride is C7H4F4.
The molecular weight of 4-Fluorobenzotrifluoride is 164.10 g/mol.
The IUPAC name of 4-Fluorobenzotrifluoride is 1-fluoro-4-(trifluoromethyl)benzene.
The InChI of 4-Fluorobenzotrifluoride is InChI=1S/C7H4F4/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H.
The InChIKey of 4-Fluorobenzotrifluoride is UNNNAIWPDLRVRN-UHFFFAOYSA-N.
The canonical SMILES of 4-Fluorobenzotrifluoride is C1=CC(=CC=C1C(F)(F)F).
The CAS number of 4-Fluorobenzotrifluoride is 402-44-8.
The European Community (EC) number of 4-Fluorobenzotrifluoride is 206-944-1.
The DSSTox Substance ID of 4-Fluorobenzotrifluoride is DTXSID5059951.
Yes, 4-Fluorobenzotrifluoride is a canonicalized compound according to PubChem.