2-Methoxycarbonylthiophene-3-diazonium tetrafluoroborate

• Catalog: OFC100421509
• CAS: 100421-50-9
• Category: Fluorinated Thiophenes
• Synonyms: 2-(methoxycarbonyl)thiophene-3-diazonium; tetrafluoroboranuide
• MDL Number: MFCD01570119

• IUPAC Name: 2-methoxycarbonylthiophene-3-diazonium;tetrafluoroborate
• InChI: InChI=1S/C6H5N2O2S.BF4/c1-10-6(9)5-4(8-7)2-3-11-5;2-1(3,4)5/h2-3H,1H3;/q+1;-1
• InChI Key: LNSYBPMEVKSYAD-UHFFFAOYSA-N
• Isomeric SMILES: [B-](F)(F)(F)F.COC(=O)C1=C(C=CS1)[N+]#N

• Molecular Formula: C6H5BF4N2O2S
• Molecular Weight: 255.99

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 256.0100914 g/mol
• Monoisotopic Mass: 256.0100914 g/mol
• Topological Polar Surface Area: 82.7Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 229