5-(4-Fluorophenyl)thiophene-2-carboxylic Acid

• Catalog: OFC115933307
• CAS: 115933-30-7
• Category: Fluorinated Thiophenes
• Synonyms: 5-(4-Fluorophenyl)-2-thiophenecarboxylic acid
• Purity: >98.0%(GC)(T)
• MDL Number: MFCD01316570

• IUPAC Name: 5-(4-fluorophenyl)thiophene-2-carboxylic acid
• InChI: InChI=1S/C11H7FO2S/c12-8-3-1-7(2-4-8)9-5-6-10(15-9)11(13)14/h1-6H,(H,13,14)
• InChI Key: YOFXYDVYMHOXSY-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC(=CC=C1C2=CC=C(S2)C(=O)O)F
• EC Number: 623-948-2

• Molecular Formula: C11H7FO2S
• Molecular Weight: 222.23
• Melting Point: 248.0-252.0 °C
• Appearance: White to orange to green powder to crystal

• XLogP3-AA: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 222.01507880 g/mol
• Monoisotopic Mass: 222.01507880 g/mol
• Topological Polar Surface Area: 65.5Ų
• Heavy Atom Count: 115
• Formal Charge: 0
• Complexity: 239

• HS Number: 2934.99.4400