CAS
1112209-48-9 Purity
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1112209-48-9 Purity
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The molecular formula is C8H6BF3O4.
It was created on 2012-08-08 and last modified on 2023-12-02.
The IUPAC Name is 3-borono-5-(trifluoromethyl)benzoic acid.
The Canonical SMILES is B(C1=CC(=CC(=C1)C(F)(F)F)C(=O)O)(O)O.
The molecular weight is 233.94 g/mol.
It has 3 hydrogen bond donor counts.
The hydrogen bond acceptor count is 7.
The topological polar surface area is 77.8Ų.
There are 16 heavy atoms in this compound.
Yes, the compound is canonicalized.