5-Fluoro-1H-indole-4-boronic acid, pinacol ester

• Catalog: OFC1072009085
• CAS: 1072009-08-5
• Category: Fluorinated Indoles
• Synonyms: 5-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole; 2-(5-Fluoro-1H-indol-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• MDL Number: MFCD16987816

• IUPAC Name: 5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
• InChI: InChI=1S/C14H17BFNO2/c1-13(2)14(3,4)19-15(18-13)12-9-7-8-17-11(9)6-5-10(12)16/h5-8,17H,1-4H3
• InChI Key: WDVYWRZQLIGSEN-UHFFFAOYSA-N
• Isomeric SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC3=C2C=CN3)F
• EC Number: 805-046-2

• Molecular Formula: C14H17BFNO2
• Molecular Weight: 261.10

• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 261.1336371 g/mol
• Monoisotopic Mass: 261.1336371 g/mol
• Topological Polar Surface Area: 34.2Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 347