CAS
387-45-1 Purity
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387-45-1 Purity
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Specification
The molecular formula is C7H5F4N.
The molecular weight is 179.11 g/mol.
The IUPAC name is 4-fluoro-2-(trifluoromethyl)aniline.
The InChI is InChI=1S/C7H5F4N/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3H,12H2.
The InChIKey is LRCQLCWUUBSUOY-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=C(C=C1F)C(F)(F)F)N.
The CAS number is 393-39-5.
There are 5 hydrogen bond acceptors.
Yes, it is a canonicalized compound.