CAS
219873-06-0 Purity
96%
219873-06-0 Purity
96%
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Specification
The molecular formula is C7H3F3O2.
The molecular weight is 176.09 g/mol.
The IUPAC name is 2,3,6-trifluorobenzoic acid.
The InChI is InChI=1S/C7H3F3O2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,(H,11,12).
There is 1 hydrogen bond donor count.
There are 5 hydrogen bond acceptor counts.
The exact mass is 176.00851382 g/mol.
There is 1 rotatable bond count.
Yes, the compound is canonicalized.
The topological polar surface area is 37.3 Å2.