604000-34-2 Purity
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Specification
The molecular formula is C11H6F3NO2.
The molecular weight is 241.17 g/mol.
Some synonyms include 2-(trifluoromethyl)quinoline-8-carboxylic Acid and 8-QUINOLINECARBOXYLIC ACID, 2-(TRIFLUOROMETHYL)-.
It was created on October 27, 2006, and last modified on December 30, 2023.
The IUPAC name is 2-(trifluoromethyl)quinoline-8-carboxylic acid.
The InChI is InChI=1S/C11H6F3NO2/c12-11(13,14)8-5-4-6-2-1-3-7(10(16)17)9(6)15-8/h1-5H,(H,16,17).
The Canonical SMILES is C1=CC2=C(C(=C1)C(=O)O)N=C(C=C2)C(F)(F)F.
The CAS number is 588702-63-0.
The XLogP3-AA value is 2.6.
Yes, it is considered a canonicalized compound in PubChem.