CAS
407-22-7 Purity
97%
407-22-7 Purity
97%
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Specification
The molecular formula is C7H4F3NO2.
The molecular weight is 191.11 g/mol.
The IUPAC name is 6-(trifluoromethyl)pyridine-3-carboxylic acid.
The InChIKey is JNYLMODTPLSLIF-UHFFFAOYSA-N.
The Canonical SMILES is C1=CC(=NC=C1C(=O)O)C(F)(F)F.
The CAS number is 231291-22-8.
It has 6 hydrogen bond acceptors.
The topological polar surface area is 50.2 Å2.
No, it does not have any defined bond stereocenter count.
Yes, it is a canonicalized compound.