5-(4-Chlorobutyryl)-6-Methyl-5H-1,3-Dioxolo[4,5-f]Indole-7-Acetic Acid
[CAS# 50332-11-1]

Identification

• Name: 5-(4-Chlorobutyryl)-6-Methyl-5H-1,3-Dioxolo[4,5-f]Indole-7-Acetic Acid
• Synonyms: 2-[5-(4-Chloro-1-Oxobutyl)-6-Methyl-[1,3]Dioxolo[4,5-F]Indol-7-Yl]Acetic Acid; 2-[5-(4-Chlorobutanoyl)-6-Methyl-[1,3]Dioxolo[4,5-F]Indol-7-Yl]Ethanoic Acid; 5H-1,3-Dioxolo(4,5-F)Indole-7-Acetic Acid, 5-(4-Chloro-1-Oxobutyl)-6-Methyl-
• Molecular Formula: C₁₆H₁₆ClNO₅
• Molecular Weight: 337.76
• CAS Registry Number: 50332-11-1
• SMILES: C1=C3C(=CC2=C1C(=C([N]2C(CCCCl)=O)C)CC(O)=O)OCO3
• InChI: 1S/C16H16ClNO5/c1-9-10(6-16(20)21)11-5-13-14(23-8-22-13)7-12(11)18(9)15(19)3-2-4-17/h5,7H,2-4,6,8H2,1H3,(H,20,21)
• InChIKey: FAGBXKXOWVYBDZ-UHFFFAOYSA-N

Properties

• Density: 1.477g/cm³ (Cal.)
• Boiling point: 533.28°C at 760 mmHg (Cal.)
• Flash point: 276.318°C (Cal.)