CAS
913836-28-9 Purity
96
913836-28-9 Purity
96
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Specification
The molecular formula is C8H6F3NO2.
The molecular weight is 205.13 g/mol.
The IUPAC name is 2-[6-(trifluoromethyl)pyridin-3-yl]acetic acid.
The InChI is InChI=1S/C8H6F3NO2/c9-8(10,11)6-2-1-5(4-12-6)3-7(13)14/h1-2,4H,3H2,(H,13,14).
The InChIKey is GONSDVSNRVDRPU-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=NC=C1CC(=O)O)C(F)(F)F.
The CAS number is 913839-73-3.
The XLogP3-AA value is 1.2.
Yes, it is a canonicalized compound.