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2-(4'-Acetyl-2-fluoro-biphenyl-4-yl)propionic Acid (Methyl Ester-[d3])

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General Information
Catalog: BLP-007719
CAS: 1185157-06-5
Molecular Formula: C18H14D3FO3
Molecular Weight: 303.34

Chemical Structure

Description	A labelled intermediate for the synthesis of the metabolite of Flurbiprofen, an anti-inflammatory used as an analgesic.
Synonyms	4'-Acetyl-2-fluoro-α-methyl-d3-[1,1'-biphenyl]-4-acetic Acid Methyl Ester; Methyl 2-(4'-Acetyl-2-fluoro-biphenyl-4-yl)propionate-d3
IUPAC Name	methyl 2-[4-(4-acetylphenyl)-3-fluorophenyl]-3,3,3-trideuteriopropanoate
Related CAS	215175-83-0 (unlabelled)
Canonical SMILES	CC(C1=CC(=C(C=C1)C2=CC=C(C=C2)C(=O)C)F)C(=O)OC
InChI	InChI=1S/C18H17FO3/c1-11(18(21)22-3)15-8-9-16(17(19)10-15)14-6-4-13(5-7-14)12(2)20/h4-11H,1-3H3/i1D3
InChI Key	GSUUVAORLIYLIT-FIBGUPNXSA-N
Boiling Point	394.7±37.0°C at 760 mmHg
Density	1.2±0.1 g/cm3
Solubility	Soluble in Chloroform, Dichloromethane
Appearance	Yellow Semi-solid