CAS
93951-78-1 Purity
98 atom % D
93951-78-1 Purity
98 atom % D
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Specification
The molecular formula is C6H3Cl3O.
The molecular weight is 199.5 g/mol.
The IUPAC name is 2,4,5-trichloro-3,6-dideuteriophenol.
The InChI is InChI=1S/C6H3Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H/i1D,2D.
The InChIKey is LHJGJYXLEPZJPM-QDNHWIQGSA-N.
The canonical SMILES is C1=C(C(=CC(=C1Cl)Cl)Cl)O.
The isomeric SMILES is [2H]C1=C(C(=C(C(=C1Cl)Cl)[2H])Cl)O.
The CAS number is 93951-82-7.
The EC number is 693-509-8.
The XLogP3 value is 3.7.