2-tert-butyl-5-nitro-1H-indole-7-carboxylic acid
[CAS# 952664-99-2]

Identification

• Name: 2-tert-butyl-5-nitro-1H-indole-7-carboxylic acid
• Synonyms: 2-tert-butyl-5-nitro-1H-indole-7-carboxylic acid
• Molecular Formula: C₁₃H₁₄N₂O₄
• Molecular Weight: 262.26
• CAS Registry Number: 952664-99-2
• SMILES: CC(C)(C)c1cc2cc(cc(c2[nH]1)C(=O)O)[N+](=O)[O-]
• InChI: 1S/C13H14N2O4/c1-13(2,3)10-5-7-4-8(15(18)19)6-9(12(16)17)11(7)14-10/h4-6,14H,1-3H3,(H,16,17)
• InChIKey: ZXRVTTQBJADJPU-UHFFFAOYSA-N

Properties

• Density: 1.359g/cm³ (Cal.)
• Boiling point: 483.98°C at 760 mmHg (Cal.)
• Flash point: 246.503°C (Cal.)
• Refractive index: 1.65 (Cal.)