(2E)-3-[2-(Ethoxycarbonyl)-5-fluoro-1H-indol-3-yl]acrylic acid
[CAS# 885273-65-4]

Identification

• Name: (2E)-3-[2-(Ethoxycarbonyl)-5-fluoro-1H-indol-3-yl]acrylic acid
• Synonyms: (2E)-3-[2-(Ethoxycarbonyl)-5-fluor-1H-indol-3-yl]acrylsäure; (2E)-3-[2-(Ethoxycarbonyl)-5-fluoro-1H-indol-3-yl]acrylic acid; 1H-Indole-2-carboxylic acid, 3-[(E)-2-carboxyethenyl]-5-fluoro-, 2-ethyl ester
• Molecular Formula: C₁₄H₁₂FNO₄
• Molecular Weight: 277.25
• CAS Registry Number: 885273-65-4
• SMILES: CCOC(=O)c1c(c2cc(ccc2[nH]1)F)/C=C/C(=O)O
• InChI: 1S/C14H12FNO4/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: KPBDDHIUBITJPT-GQCTYLIASA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 511.3±50.0°C at 760 mmHg (Cal.)
• Flash point: 263.0±30.1°C (Cal.)
• Refractive index: 1.66 (Cal.)