4-Fluoroquinoline-3-boronic acid

• Catalog: OFC745784116
• CAS: 745784-11-6
• Category: Fluorinated Quinolines
• Synonyms: 3-Borono-4-fluoroquinoline, 3-Borono-4-fluoro-1-azanaphthalene
• MDL Number: MFCD05664132

• IUPAC Name: (4-fluoroquinolin-3-yl)boronic acid
• InChI: InChI=1S/C9H7BFNO2/c11-9-6-3-1-2-4-8(6)12-5-7(9)10(13)14/h1-5,13-14H
• InChI Key: WLFUWHBBRKKHJM-UHFFFAOYSA-N
• Isomeric SMILES: B(C1=C(C2=CC=CC=C2N=C1)F)(O)O
• EC Number: 874-347-9

• Molecular Formula: C9H7BFNO2
• Molecular Weight: 190.97

• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 191.0553868 g/mol
• Monoisotopic Mass: 191.0553868 g/mol
• Topological Polar Surface Area: 53.4Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 205