CAS
2859-78-1 Purity
98%
2859-78-1 Purity
98%
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The molecular formula is C6H2BrClF2O2S.
The molecular weight is 291.50 g/mol.
The IUPAC name is 5-bromo-2,4-difluorobenzenesulfonyl chloride.
The InChI code is InChI=1S/C6H2BrClF2O2S/c7-3-1-6(13(8,11)12)5(10)2-4(3)9/h1-2H.
The InChIKey is GSNAPAYUOACKRN-UHFFFAOYSA-N.
The canonical SMILES representation is C1=C(C(=CC(=C1F)Br)S(=O)(=O)Cl)F.
The CAS number is 287172-61-6.
The EC number is 638-977-6.
The XLogP3-AA value is 2.8.
Yes, it is canonicalized.