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The molecular formula is C9H4F6O2.
The molecular weight is 258.12 g/mol.
The IUPAC name is 2,6-bis(trifluoromethyl)benzoic acid.
The InChI is InChI=1S/C9H4F6O2/c10-8(11,12)4-2-1-3-5(9(13,14)15)6(4)7(16)17/h1-3H,(H,16,17).
The InChIKey is XZNLSDPNMNWCRE-UHFFFAOYSA-N.
The Canonical SMILES is C1=CC(=C(C(=C1)C(F)(F)F)C(=O)O)C(F)(F)F.
The CAS number is 24821-22-5.
The European Community (EC) number is 246-479-1.
The UNII is 3VW9D8KD6R.
Yes, it is a canonicalized compound.
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