2-(4-Bromophenyl)-6-pentafluorosulfanyl-1H-indole

• Catalog: OFC1394319711
• CAS: 1394319-71-1
• Category: Fluorinated Indoles
• Synonyms: 2-(4-Bromophenyl)-6-(pentafluoro-l6-sulfanyl)-1H-indole
• MDL Number: MFCD22421669

• IUPAC Name: [2-(4-bromophenyl)-1H-indol-6-yl]-pentafluoro-lambda6-sulfane
• InChI: InChI=1S/C14H9BrF5NS/c15-11-4-1-9(2-5-11)13-7-10-3-6-12(8-14(10)21-13)22(16,17,18,19)20/h1-8,21H
• InChI Key: AHBOZBSKABVFNA-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC(=CC=C1C2=CC3=C(N2)C=C(C=C3)S(F)(F)(F)(F)F)Br

• Molecular Formula: C14H9BrF5NS
• Molecular Weight: 398.19

• XLogP3-AA: 7.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 396.95592 g/mol
• Monoisotopic Mass: 396.95592 g/mol
• Topological Polar Surface Area: 16.8Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 433