2-[3-(4-Chlorophenyl)-2H-1,4-benzoxazin-6-yl]propanoic acid
[CAS# 86818-29-3]

Identification

• Name: 2-[3-(4-Chlorophenyl)-2H-1,4-benzoxazin-6-yl]propanoic acid
• Synonyms: 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-chlorophenyl)-α-methyl-; 3-(4-Chlorophenyl)-α-methyl-2H-1,4-benzoxazine-6-acetic acid; BRN 4535060
• Molecular Formula: C₁₇H₁₄ClNO₃
• Molecular Weight: 315.75
• CAS Registry Number: 86818-29-3
• SMILES: O=C(O)C(c2ccc1OCC(=N\c1c2)/c3ccc(Cl)cc3)C
• InChI: 1S/C17H14ClNO3/c1-10(17(20)21)12-4-7-16-14(8-12)19-15(9-22-16)11-2-5-13(18)6-3-11/h2-8,10H,9H2,1H3,(H,20,21)
• InChIKey: MRXDRXCPUCFREZ-UHFFFAOYSA-N

Properties

• Density: 1.344g/cm³ (Cal.)
• Boiling point: 486.351°C at 760 mmHg (Cal.)
• Flash point: 247.937°C (Cal.)