CAS
95104-21-5 Purity
97%
95104-21-5 Purity
97%
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Specification
The molecular formula is C10H6F3NO3S.
The molecular weight is 277.22 g/mol.
The IUPAC name is quinolin-6-yl trifluoromethanesulfonate.
The InChIKey is TVYXNKUMLWUQPV-UHFFFAOYSA-N.
The Canonical SMILES is C1=CC2=C(C=CC(=C2)OS(=O)(=O)C(F)(F)F)N=C1.
The CAS number is 173089-80-0.
It has 0 hydrogen bond donor counts.
It has 7 hydrogen bond acceptor counts.
The topological polar surface area is 64.6 Ų.
Yes, it is a canonicalized compound.