2-[2-(4-Nitrophenyl)Benzooxazol-5-Yl]Propanoic Acid
[CAS# 51234-92-5]

Identification

• Name: 2-[2-(4-Nitrophenyl)Benzooxazol-5-Yl]Propanoic Acid
• Synonyms: 2-[2-(4-Nitrophenyl)-1,3-Benzoxazol-5-Yl]Propionic Acid; 5-Benzoxazoleacetic Acid, Alpha-Methyl-2-(4-Nitrophenyl)-; Brn 1089200
• Molecular Formula: C₁₆H₁₂N₂O₅
• Molecular Weight: 312.28
• CAS Registry Number: 51234-92-5
• SMILES: C1=C(C=CC2=C1N=C(O2)C3=CC=C([N+]([O-])=O)C=C3)C(C(=O)O)C
• InChI: 1S/C16H12N2O5/c1-9(16(19)20)11-4-7-14-13(8-11)17-15(23-14)10-2-5-12(6-3-10)18(21)22/h2-9H,1H3,(H,19,20)
• InChIKey: YLUWIWDPTZHXQS-UHFFFAOYSA-N

Properties

• Density: 1.411g/cm³ (Cal.)
• Boiling point: 497.821°C at 760 mmHg (Cal.)
• Flash point: 254.873°C (Cal.)