(2E)-3-[5-Bromo-2-(ethoxycarbonyl)-1H-indol-3-yl]acrylic acid
[CAS# 885273-61-0]

Identification

• Name: (2E)-3-[5-Bromo-2-(ethoxycarbonyl)-1H-indol-3-yl]acrylic acid
• Synonyms: (2E)-3-[5-Brom-2-(ethoxycarbonyl)-1H-indol-3-yl]acrylsäure; (2E)-3-[5-Bromo-2-(ethoxycarbonyl)-1H-indol-3-yl]acrylic acid; 1H-Indole-2-carboxylic acid, 5-bromo-3-[(E)-2-carboxyethenyl]-, 2-ethyl ester
• Molecular Formula: C₁₄H₁₂BrNO₄
• Molecular Weight: 338.15
• CAS Registry Number: 885273-61-0
• SMILES: CCOC(=O)c1c(c2cc(ccc2[nH]1)Br)/C=C/C(=O)O
• InChI: 1S/C14H12BrNO4/c1-2-20-14(19)13-9(4-6-12(17)18)10-7-8(15)3-5-11(10)16-13/h3-7,16H,2H2,1H3,(H,17,18)/b6-4+
• InChIKey: FSVMBOPUCLYWEE-GQCTYLIASA-N

Properties

• Density: 1.6±0.1g/cm³ (Cal.)
• Boiling point: 552.4±50.0°C at 760 mmHg (Cal.)
• Flash point: 287.9±30.1°C (Cal.)
• Refractive index: 1.696 (Cal.)