2-(3-Bromophenyl)-5-pentafluorosulfanyl-1H-indole

• Catalog: OFC1394319653
• CAS: 1394319-65-3
• Category: Fluorinated Indoles
• Synonyms: 2-(3-Bromophenyl)-5-(pentafluoro-l6-sulfanyl)-1H-indole
• MDL Number: MFCD22421670

• IUPAC Name: [2-(3-bromophenyl)-1H-indol-5-yl]-pentafluoro-lambda6-sulfane
• InChI: InChI=1S/C14H9BrF5NS/c15-11-3-1-2-9(6-11)14-8-10-7-12(4-5-13(10)21-14)22(16,17,18,19)20/h1-8,21H
• InChI Key: HLGUMKUSCGBBKP-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC(=CC(=C1)Br)C2=CC3=C(N2)C=CC(=C3)S(F)(F)(F)(F)F

• 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: 441