216159-03-4 Purity
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Specification
The molecular formula is C6H3BrClFO2S.
The molecular weight is 273.51 g/mol.
The IUPAC name is 4-bromo-3-fluorobenzenesulfonyl chloride.
The InChI is InChI=1S/C6H3BrClFO2S/c7-5-2-1-4(3-6(5)9)12(8,10)11/h1-3H.
The InChIKey is IZCXVIACMHTZNA-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=C(C=C1S(=O)(=O)Cl)F)Br.
The CAS number is 351003-51-5.
The European Community (EC) number is 624-203-4.
The DSSTox Substance ID is DTXSID20380816.
Yes, it is a canonicalized compound according to PubChem.
Reference: [1]Current Patent Assignee: MANKIND PHARMA - US2017/291910, 2017, A1
* For details of the synthesis route, please refer to the original source to ensure accuracy.