CAS
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Specification
The molecular formula is C8H8ClFO2S.
The molecular weight is 222.66 g/mol.
The IUPAC name is 2-(2-fluorophenyl)ethanesulfonyl chloride.
The InChI is InChI=1S/C8H8ClFO2S/c9-13(11,12)6-5-7-3-1-2-4-8(7)10/h1-4H,5-6H2.
The InChIKey is XKGTZBGUSUFCHC-UHFFFAOYSA-N.
The Canonical SMILES is C1=CC=C(C(=C1)CCS(=O)(=O)Cl)F.
The CAS number is 728919-67-3.
There are 0 hydrogen bond donor counts.
The topological polar surface area is 42.5 ².
Yes, the compound is canonicalized.