2-Chloro-6-pentafluorosulfanyl-1H-indole

• Catalog: OFC1394319335
• CAS: 1394319-33-5
• Category: Fluorinated Indoles
• Synonyms: Sulfur, (2-chloro-1H-indol-6-yl)pentafluoro-, (OC-6-21)-
• MDL Number: MFCD22421693

• IUPAC Name: (2-chloro-1H-indol-6-yl)-pentafluoro-lambda6-sulfane
• InChI: InChI=1S/C8H5ClF5NS/c9-8-3-5-1-2-6(4-7(5)15-8)16(10,11,12,13)14/h1-4,15H
• InChI Key: QTFRGMBOKWJDMU-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC2=C(C=C1S(F)(F)(F)(F)F)NC(=C2)Cl

• Molecular Formula: C8H5ClF5NS
• Molecular Weight: 277.64

• XLogP3-AA: 6.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 276.9751388 g/mol
• Monoisotopic Mass: 276.9751388 g/mol
• Topological Polar Surface Area: 16.8Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 304