85118-05-4 Purity
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Specification
The molecular formula is C7H6ClFO2S.
It was created on July 19, 2005, and last modified on December 23, 2023.
The IUPAC name is 2-fluoro-5-methylbenzenesulfonyl chloride.
The InChI is InChI=1S/C7H6ClFO2S/c1-5-2-3-6(9)7(4-5)12(8,10)11/h2-4H,1H3.
The molecular weight is 208.64 g/mol.
The Canonical SMILES is CC1=CC(=C(C=C1)F)S(=O)(=O)Cl.
The CAS number is 870704-14-6.
The XLogP3-AA value is 2.4.
It has 3 hydrogen bond acceptors.
Yes, the compound is canonicalized.