alpha-Methyl-2-[3-(Trifluoromethyl)Phenyl]-5-Benzoxazoleacetic Acid
[CAS# 51234-70-9]

Identification

• Name: alpha-Methyl-2-[3-(Trifluoromethyl)Phenyl]-5-Benzoxazoleacetic Acid
• Synonyms: 2-[2-[3-(Trifluoromethyl)Phenyl]-1,3-Benzoxazol-5-Yl]Propionic Acid; 5-Benzoxazoleacetic Acid, Alpha-Methyl-2-(Alpha,Alpha,Alpha-Trifluoro-M-Tolyl)-; Brn 1089598
• Molecular Formula: C₁₇H₁₂F₃NO₃
• Molecular Weight: 335.28
• CAS Registry Number: 51234-70-9
• SMILES: C3=C(C1=NC2=C(O1)C=CC(=C2)C(C(O)=O)C)C=CC=C3C(F)(F)F
• InChI: 1S/C17H12F3NO3/c1-9(16(22)23)10-5-6-14-13(8-10)21-15(24-14)11-3-2-4-12(7-11)17(18,19)20/h2-9H,1H3,(H,22,23)
• InChIKey: IWQDAJHWXYWODB-UHFFFAOYSA-N

Properties

• Density: 1.379g/cm³ (Cal.)
• Boiling point: 429.187°C at 760 mmHg (Cal.)
• Flash point: 213.365°C (Cal.)