CAS
457051-09-1 Purity
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457051-09-1 Purity
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Specification
The molecular formula is C6H3Cl2FO2S.
The molecular weight is 229.06 g/mol.
The IUPAC name is 3,4-dichlorobenzenesulfonyl fluoride.
The Canonical SMILES is C1=CC(=C(C=C1S(=O)(=O)F)Cl)Cl.
The InChIKey is MEUGNSGWAGTVDJ-UHFFFAOYSA-N.
The CAS number is 60191-50-6.
It has 3 hydrogen bond acceptors.
It has 1 rotatable bond count.
The topological polar surface area is 42.5 Ų.
Yes, the compound is canonicalized.