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The molecular formula of the compound is C6H3Cl3O.
The molecular weight of the compound is 199.5 g/mol.
The IUPAC name of the compound is 2,3,6-trichloro-4,5-dideuteriophenol.
The InChI of the compound is InChI=1S/C6H3Cl3O/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H/i1D,2D.
The InChIKey of the compound is XGCHAIDDPMFRLJ-QDNHWIQGSA-N.
The canonical SMILES of the compound is C1=CC(=C(C(=C1Cl)O)Cl)Cl.
The isomeric SMILES of the compound is [2H]C1=C(C(=C(C(=C1Cl)O)Cl)Cl)[2H].
The XLogP3 value of the compound is 3.8.
The compound has one hydrogen bond donor count.
The compound has one hydrogen bond acceptor count.
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