93936-27-7 Purity
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The molecular formula of the compound is C11H6F3NO3.
The synonyms of the compound are 2-phenyl-4-(trifluoromethyl)oxazole-5-carboxylic acid, 939377-13-6, 2-Phenyl-4-trifluoromethyl-oxazole-5-carboxylic acid, SCHEMBL2447220, and AT29310.
The molecular weight of the compound is 257.16 g/mol.
The IUPAC name of the compound is 2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid.
The InChI of the compound is InChI=1S/C11H6F3NO3/c12-11(13,14)8-7(10(16)17)18-9(15-8)6-4-2-1-3-5-6/h1-5H,(H,16,17).
The InChIKey of the compound is YCQANNGMRAJYEG-UHFFFAOYSA-N.
The canonical SMILES of the compound is C1=CC=C(C=C1)C2=NC(=C(O2)C(=O)O)C(F)(F)F.
The XLogP3-AA value of the compound is 2.8.
The compound has one hydrogen bond donor count.
The compound has seven hydrogen bond acceptor counts.