CAS
99277-71-1 Purity
97%
99277-71-1 Purity
97%
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The molecular formula is C6H2BrClF2O2S.
The molecular weight is 291.50 g/mol.
The IUPAC name is 4-bromo-3,5-difluorobenzenesulfonyl chloride.
The InChI is InChI=1S/C6H2BrClF2O2S/c7-6-4(9)1-3(2-5(6)10)13(8,11)12/h1-2H.
The InChIKey is QCESOQYTNNRNNY-UHFFFAOYSA-N.
The canonical SMILES is C1=C(C=C(C(=C1F)Br)F)S(=O)(=O)Cl.
The CAS number is 518057-63-1.
The EC number is 879-255-2.
The XLogP3-AA value is 2.8.
Yes, it is a canonicalized compound according to PubChem.