CAS
202865-66-5 Purity
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202865-66-5 Purity
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Specification
The molecular formula is C6H3BrClFO2S.
The molecular weight is 273.51 g/mol.
The IUPAC name is 2-bromo-4-fluorobenzenesulfonyl chloride.
The InChI is InChI=1S/C6H3BrClFO2S/c7-5-3-4(9)1-2-6(5)12(8,10)11/h1-3H.
The InChI Key is GJPWPFVLPNTOOL-UHFFFAOYSA-N.
The Canonical SMILES is C1=CC(=C(C=C1F)Br)S(=O)(=O)Cl.
The CAS number is 351003-45-7.
The XLogP3-AA value is 2.7.
Yes, 2-Bromo-4-fluorobenzenesulphonyl chloride is canonicalized.