5-(5-Bromo-2-Furoyl)-6-Methyl-5H-1,3-Dioxolo[4,5-f]Indole-7-Acetic Acid
[CAS# 50332-07-5]

Identification

• Name: 5-(5-Bromo-2-Furoyl)-6-Methyl-5H-1,3-Dioxolo[4,5-f]Indole-7-Acetic Acid
• Synonyms: 2-[5-[(5-Bromo-2-Furyl)-Oxomethyl]-6-Methyl-[1,3]Dioxolo[4,5-F]Indol-7-Yl]Acetic Acid; 2-[5-(5-Bromofuran-2-Yl)Carbonyl-6-Methyl-[1,3]Dioxolo[4,5-F]Indol-7-Yl]Ethanoic Acid; 5-(5-Bromo-2-Furoyl)-6-Methyl-5H-1,3-Dioxolo(4,5-F)Indole-7-Acetic Acid
• Molecular Formula: C₁₇H₁₂BrNO₆
• Molecular Weight: 406.19
• CAS Registry Number: 50332-07-5
• SMILES: C1=C4C(=CC2=C1[N](C(=C2CC(O)=O)C)C(C3=CC=C(O3)Br)=O)OCO4
• InChI: 1S/C17H12BrNO6/c1-8-9(5-16(20)21)10-4-13-14(24-7-23-13)6-11(10)19(8)17(22)12-2-3-15(18)25-12/h2-4,6H,5,7H2,1H3,(H,20,21)
• InChIKey: AWEDWPMJMZOPJF-UHFFFAOYSA-N

Properties

• Density: 1.797g/cm³ (Cal.)
• Boiling point: 506.506°C at 760 mmHg (Cal.)
• Flash point: 260.126°C (Cal.)