940951-97-3 Purity
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Specification
The molecular formula is C12H7F3O2.
The molecular weight is 240.18 g/mol.
The synonyms include 94098-56-3, 5-[2-(trifluoromethyl)phenyl]furan-2-carbaldehyde, 5-[2-(Trifluoromethyl)phenyl]furfural, and 5-(2-(trifluoromethyl)phenyl)furan-2-carbaldehyde.
The IUPAC name is 5-[2-(trifluoromethyl)phenyl]furan-2-carbaldehyde.
The InChI is InChI=1S/C12H7F3O2/c13-12(14,15)10-4-2-1-3-9(10)11-6-5-8(7-16)17-11/h1-7H.
The InChIKey is BECHPBVVELWRBW-UHFFFAOYSA-N.
The canonical SMILES is C1=CC=C(C(=C1)C2=CC=C(O2)C=O)C(F)(F)F.
The CAS number is 94098-56-3.
The European Community (EC) Number is 623-061-0.
The XLogP3-AA value is 3.3.