CAS
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Specification
The molecular formula is C12H8ClFO2S.
The molecular weight is 270.71 g/mol.
The IUPAC name is 3-(4-fluorophenyl)benzenesulfonyl chloride.
The InChI is InChI=1S/C12H8ClFO2S/c13-17(15,16)12-3-1-2-10(8-12)9-4-6-11(14)7-5-9/h1-8H.
The InChIKey is BBTKFJNSQWKALJ-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=CC(=C1)S(=O)(=O)Cl)C2=CC=C(C=C2)F.
It has 0 hydrogen bond donor counts.
It has 3 hydrogen bond acceptor counts.
The topological polar surface area is 42.5 Ų.
Yes, it is a canonicalized compound.