CAS
398-71-0 Purity
96%
398-71-0 Purity
96%
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Specification
The molecular formula is C14H11FO3.
The molecular weight is 246.23 g/mol.
The IUPAC name is 4-[(2-fluorophenyl)methoxy]benzoic acid.
The InChI is InChI=1S/C14H11FO3/c15-13-4-2-1-3-11(13)9-18-12-7-5-10(6-8-12)14(16)17/h1-8H,9H2,(H,16,17).
The InChIKey is PKWADBDVMROXJB-UHFFFAOYSA-N.
The canonical SMILES is C1=CC=C(C(=C1)COC2=CC=C(C=C2)C(=O)O)F.
The CAS number is 405-24-3.
The DSSTox Substance ID is DTXSID50424232.
The XLogP3-AA value is 3.
Yes, the compound is canonicalized.