94885-44-6 Purity
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Specification
The molecular formula is C12H3Cl7O2.
The PubChem CID is 93509.
The compound was created on August 8, 2005.
The IUPAC name is 2,3,4-trichloro-6-(2,3,4,6-tetrachlorophenoxy)phenol.
The InChI is InChI=1S/C12H3Cl7O2/c13-3-1-5(15)12(10(19)8(3)17)21-6-2-4(14)7(16)9(18)11(6)20/h1-2,20H.
The InChIKey is IIGANKVUIOUWRI-UHFFFAOYSA-N.
The canonical SMILES is C1=C(C(=C(C(=C1Cl)Cl)Cl)O)OC2=C(C(=C(C=C2Cl)Cl)Cl)Cl.
The CAS number is 94888-12-7.
The molecular weight is 427.3 g/mol.
It has 2 hydrogen bond acceptor counts.
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