[4-(Methoxycarbonyl)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-1H-indol-2-yl]boronic acid
[CAS# 953411-03-5]

Identification

• Name: [4-(Methoxycarbonyl)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-1H-indol-2-yl]boronic acid
• Synonyms: 1H-Indole-1,4-dicarboxylic acid, 2-borono-, 1-(1,1-dimethylethyl) 4-methyl ester; 1H-Indole-1,4-dicarboxylic acid,2-borono-,1-(1,1-dimethylethyl)4-methyl ester
• Molecular Formula: C₁₅H₁₈BNO₆
• Molecular Weight: 319.12
• CAS Registry Number: 953411-03-5
• SMILES: B(c1cc2c(cccc2n1C(=O)OC(C)(C)C)C(=O)OC)(O)O
• InChI: 1S/C15H18BNO6/c1-15(2,3)23-14(19)17-11-7-5-6-9(13(18)22-4)10(11)8-12(17)16(20)21/h5-8,20-21H,1-4H3
• InChIKey: WNDIMVXXLXLEPA-UHFFFAOYSA-N

Properties

• Density: 1.243g/cm³ (Cal.)
• Boiling point: 501.566°C at 760 mmHg (Cal.)
• Flash point: 257.138°C (Cal.)
• Refractive index: 1.546 (Cal.)