(4E,10Z,16bS)-7,14,16-Tribromo-5-Chloro-6,9-Dihydro-9,9-Dimethylazeto[1',2':1,2]Imidazo[4',5':7,8]Azecino[3,2-b]Indole-2(1H)-One
[CAS# 110271-21-1]

Identification

• Name: (4E,10Z,16bS)-7,14,16-Tribromo-5-Chloro-6,9-Dihydro-9,9-Dimethylazeto[1',2':1,2]Imidazo[4',5':7,8]Azecino[3,2-b]Indole-2(1H)-One
• Synonyms: chartelline B
• Molecular Formula: C₂₀H₁₄Br₃ClN₄O
• Molecular Weight: 601.52
• CAS Registry Number: 110271-21-1
• SMILES: CC3(C)\C=C/C5=N/c1cc(Br)cc(Br)c1C54CC(=O)N4/C=C(/Cl)c2nc(Br)nc23
• InChI: 1S/C20H14Br3ClN4O/c1-19(2)4-3-13-20(15-10(22)5-9(21)6-12(15)25-13)7-14(29)28(20)8-11(24)16-17(19)27-18(23)26-16/h3-6,8H,7H2,1-2H3,(H,26,27)/b4-3-,11-8+
• InChIKey: HMFWDXIIQSKMGY-PRTWDDKSSA-N

Properties

• Density: 2.074g/cm³ (Cal.)
• Boiling point: 743.307°C at 760 mmHg (Cal.)
• Flash point: 403.338°C (Cal.)
• Refractive index: 1.799 (Cal.)