4-(2-Methyl-4-Oxo-4 H-Quinazolin-3-Yl)-Benzoic Acid
[CAS# 4005-05-4]

Identification

• Name: 4-(2-Methyl-4-Oxo-4 H-Quinazolin-3-Yl)-Benzoic Acid
• Synonyms: 4-(2-Methyl-4-Oxo-Quinazolin-3-Yl)Benzoate; 4-(2-Methyl-4-Oxo-3-Quinazolinyl)Benzoate; 4-(4-Keto-2-Methyl-Quinazolin-3-Yl)Benzoate
• Molecular Formula: C₁₆H₁₁N₂O₃
• Molecular Weight: 279.27
• CAS Registry Number: 4005-05-4
• SMILES: C1=CC=CC3=C1C(=O)N(C2=CC=C(C=C2)C([O-])=O)C(=N3)C
• InChI: 1S/C16H12N2O3/c1-10-17-14-5-3-2-4-13(14)15(19)18(10)12-8-6-11(7-9-12)16(20)21/h2-9H,1H3,(H,20,21)/p-1
• InChIKey: KZZXWFMSTZOYOO-UHFFFAOYSA-M

Properties

• Boiling point: 517.742°C at 760 mmHg (Cal.)
• Flash point: 266.921°C (Cal.)