2-tert-butyl-4-fluoro-5-nitro-1H-indole
[CAS# 952664-90-3]

Identification

• Name: 2-tert-butyl-4-fluoro-5-nitro-1H-indole
• Synonyms: 2-tert-butyl-4-fluoro-5-nitro-1H-indole
• Molecular Formula: C₁₂H₁₃FN₂O₂
• Molecular Weight: 236.24
• CAS Registry Number: 952664-90-3
• SMILES: CC(C)(C)c1cc2c([nH]1)ccc(c2F)[N+](=O)[O-]
• InChI: 1S/C12H13FN2O2/c1-12(2,3)10-6-7-8(14-10)4-5-9(11(7)13)15(16)17/h4-6,14H,1-3H3
• InChIKey: CLIWUFBUJSJAFM-UHFFFAOYSA-N

Properties

• Density: 1.28g/cm³ (Cal.)
• Boiling point: 389.41°C at 760 mmHg (Cal.)
• Flash point: 189.309°C (Cal.)
• Refractive index: 1.604 (Cal.)