CAS
7311-30-0 Purity
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7311-30-0 Purity
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Specification
The molecular formula is C6H2F4S.
The molecular weight is 182.14 g/mol.
The IUPAC name is 2,3,5,6-tetrafluorobenzenethiol.
The InChI is InChI=1S/C6H2F4S/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H.
The InChIKey is IGOGJHYWSOZGAE-UHFFFAOYSA-N.
The canonical SMILES is C1=C(C(=C(C(=C1F)F)S)F)F.
The CAS number is 769-40-4.
The XLogP3 value is 2.6.
It has 5 hydrogen bond acceptor counts.