4,5-Dibromo-3-fluorothiophene-2-carboxylic acid

• Catalog: OFC1628447642
• CAS: 1628447-64-2
• Category: Fluorinated Thiophenes
• Purity: 97%
• MDL Number: MFCD30183522

• IUPAC Name: 4,5-dibromo-3-fluorothiophene-2-carboxylic acid
• InChI: InChI=1S/C5HBr2FO2S/c6-1-2(8)3(5(9)10)11-4(1)7/h(H,9,10)
• InChI Key: JAARIXSMRWKNFX-UHFFFAOYSA-N
• Isomeric SMILES: C1(=C(SC(=C1Br)Br)C(=O)O)F

• Molecular Formula: C5HBr2FO2S
• Molecular Weight: 303.93

• XLogP3-AA: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 303.80275 g/mol
• Monoisotopic Mass: 301.80480 g/mol
• Topological Polar Surface Area: 65.5Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 180