CAS
111771-08-5 Purity
98%+
111771-08-5 Purity
98%+
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Specification
The molecular formula is C8H4F4O2.
The IUPAC name is 2-fluoro-3-(trifluoromethyl)benzoic acid.
The CAS number is 115029-22-6.
The molecular weight is 208.11 g/mol.
The Canonical SMILES is C1=CC(=C(C(=C1)C(F)(F)F)F)C(=O)O.
It has 1 hydrogen bond donor count.
It has 6 hydrogen bond acceptor count.
The topological polar surface area is 37.32.
It has 1 rotatable bond count.
Yes, it is a canonicalized compound.