153004-31-0 Purity
90%
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Specification
The molecular formula is C12H10F3NO2.
The synonyms are 153233-36-4, 4,4,4-Trifluoro-3-(1H-indol-3-yl)butanoic acid, 4,4,4-Trifluoro-3-(3-indolyl)butyric acid, and 2-Trifluoromethyl-3-[3-indolyl]propionic acid.
The molecular weight is 257.21 g/mol.
The compound was created on March 27, 2005.
The compound was last modified on October 21, 2023.
The IUPAC name is 4,4,4-trifluoro-3-(1H-indol-3-yl)butanoic acid.
The InChI is InChI=1S/C12H10F3NO2/c13-12(14,15)9(5-11(17)18)8-6-16-10-4-2-1-3-7(8)10/h1-4,6,9,16H,5H2,(H,17,18).
The InChIKey is RJIJUJRAERDEMV-UHFFFAOYSA-N.
The Canonical SMILES is C1=CC=C2C(=C1)C(=CN2)C(CC(=O)O)C(F)(F)F.
The CAS number is 153233-36-4.