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

• Catalog: OFC1198475249
• CAS: 1198475-24-9
• Category: Fluorinated Indoles
• Synonyms: 1H-Indole, 5-bromo-6-(trifluoromethyl)-
• MDL Number: MFCD03094968

• IUPAC Name: 5-bromo-6-(trifluoromethyl)-1H-indole
• InChI: InChI=1S/C9H5BrF3N/c10-7-3-5-1-2-14-8(5)4-6(7)9(11,12)13/h1-4,14H
• InChI Key: BANFNSUAJPLWMG-UHFFFAOYSA-N
• Isomeric SMILES: C1=CNC2=CC(=C(C=C21)Br)C(F)(F)F

• Molecular Formula: C9H5BrF3N
• Molecular Weight: 264.04
• Melting Point: 66-68 °C

• XLogP3-AA: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 262.95575 g/mol
• Monoisotopic Mass: 262.95575 g/mol
• Topological Polar Surface Area: 15.8Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 219