657394-65-5 Purity
≥98%
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Specification
The molecular formula is C16H15FO2.
Some synonyms are Flurbiprofen methyl ester, [1,1'-Biphenyl]-4-acetic acid, 2-fluoro-a-methyl-, methyl ester, methyl 2-(3-fluoro-4-phenylphenyl)propanoate, and MethylFlurbiprofen-d3.
The molecular weight is 258.29 g/mol.
The IUPAC name is methyl 2-(3-fluoro-4-phenylphenyl)propanoate.
The InChI is InChI=1S/C16H15FO2/c1-11(16(18)19-2)13-8-9-14(15(17)10-13)12-6-4-3-5-7-12/h3-11H,1-2H3.
The InChIKey is CPJBKHZROFMSQM-UHFFFAOYSA-N.
The Canonical SMILES is CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)OC.
The CAS number is 66202-86-6.
The EC number is 889-721-7.
The XLogP3 value is 4.5.