5-Bromo-3-iodo-6-(trifluoromethyl)-1H-indole

• Catalog: OFC1420537616
• CAS: 1420537-61-6
• Category: Fluorinated Indoles
• Synonyms: 1H-Indole, 5-bromo-3-iodo-6-(trifluoromethyl)-
• MDL Number: MFCD22689162

• IUPAC Name: 5-bromo-3-iodo-6-(trifluoromethyl)-1H-indole
• InChI: InChI=1S/C9H4BrF3IN/c10-6-1-4-7(14)3-15-8(4)2-5(6)9(11,12)13/h1-3,15H
• InChI Key: IOLMLBNUXBFHMS-UHFFFAOYSA-N
• Isomeric SMILES: C1=C2C(=CC(=C1Br)C(F)(F)F)NC=C2I

• Molecular Formula: C9H4BrF3IN
• Molecular Weight: 389.94
• Melting Point: 122-124 °C

• XLogP3-AA: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 388.85239 g/mol
• Monoisotopic Mass: 388.85239 g/mol
• Topological Polar Surface Area: 15.8Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 248