5-(3-Bromobenzoyl)-6-Methyl-5H-1,3-Dioxolo[4,5-f]Indole-7-Acetic Acid
[CAS# 50332-02-0]

Identification

• Name: 5-(3-Bromobenzoyl)-6-Methyl-5H-1,3-Dioxolo[4,5-f]Indole-7-Acetic Acid
• Synonyms: 2-[5-[(3-Bromophenyl)-Oxomethyl]-6-Methyl-[1,3]Dioxolo[4,5-F]Indol-7-Yl]Acetic Acid; 2-[5-(3-Bromophenyl)Carbonyl-6-Methyl-[1,3]Dioxolo[4,5-F]Indol-7-Yl]Ethanoic Acid; Brn 1044020
• Molecular Formula: C₁₉H₁₄BrNO₅
• Molecular Weight: 416.23
• CAS Registry Number: 50332-02-0
• SMILES: C1=C4C(=CC2=C1[N](C(=C2CC(O)=O)C)C(C3=CC=CC(=C3)Br)=O)OCO4
• InChI: 1S/C19H14BrNO5/c1-10-13(7-18(22)23)14-6-16-17(26-9-25-16)8-15(14)21(10)19(24)11-3-2-4-12(20)5-11/h2-6,8H,7,9H2,1H3,(H,22,23)
• InChIKey: RSHMNPPFIJILTR-UHFFFAOYSA-N

Properties

• Density: 1.654g/cm³ (Cal.)
• Boiling point: 532.996°C at 760 mmHg (Cal.)
• Flash point: 276.146°C (Cal.)