97909-54-1 Purity
96%
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The IUPAC name of the compound is 4-chloro-2-(difluoromethoxy)benzoic acid.
The molecular formula of the compound is C8H5ClF2O3.
The molecular weight of the compound is 222.57 g/mol.
The InChIKey of the compound is HGASHYZSZYKNEH-UHFFFAOYSA-N.
The canonical SMILES of the compound is C1=CC(=C(C=C1Cl)OC(F)F)C(=O)O.
The compound has 1 hydrogen bond donor count.
The XLogP3 value of the compound is 2.9.
The compound has 5 hydrogen bond acceptor counts.
The exact mass of the compound is 221.9895280 g/mol.
Yes, the compound is canonicalized.