CAS
658-93-5 Purity
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658-93-5 Purity
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Specification
The molecular formula is C7H6ClFO3S.
The molecular weight is 224.64 g/mol.
The IUPAC name is 3-fluoro-4-methoxybenzenesulfonyl chloride.
The InChI is InChI=1S/C7H6ClFO3S/c1-12-7-3-2-5(4-6(7)9)13(8,10)11/h2-4H,1H3.
The Canonical SMILES is COC1=C(C=C(C=C1)S(=O)(=O)Cl)F.
The CAS number is 67475-55-2.
It has 0 hydrogen bond donor counts.
The topological polar surface area is 51.8 Ų.
No, it has 0 defined atom stereocenter count.
Yes, it is a canonicalized compound.