CAS
433-98-7 Purity
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433-98-7 Purity
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Specification
The molecular formula is C6H4BrFO2S.
The molecular weight is 239.06 g/mol.
The IUPAC name is 3-bromobenzenesulfonyl fluoride.
The InChI is InChI=1S/C6H4BrFO2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H.
The InChIKey is LELPUBDFQNSHLE-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=CC(=C1)Br)S(=O)(=O)F.
The CAS number is 454-65-9.
The European Community (EC) number is 809-346-4.
The DSSTox Substance ID is DTXSID00743086.
The XLogP3 value is 2.6.