Methyl 3-Fluoro-2-thiophenecarboxylate

• Catalog: OFC100421521-2
• CAS: 100421-52-1
• Category: Fluorinated Thiophenes
• Synonyms: 3-Fluoro-thiophene-2-carboxylic acid methyl ester
• Purity: >97.0%(GC)
• MDL Number: MFCD16606491

• IUPAC Name: methyl 3-fluorothiophene-2-carboxylate
• InChI: InChI=1S/C6H5FO2S/c1-9-6(8)5-4(7)2-3-10-5/h2-3H,1H3
• InChI Key: UKIUEFZYSXIGPY-UHFFFAOYSA-N
• Isomeric SMILES: COC(=O)C1=C(C=CS1)F

• Molecular Formula: C6H5FO2S
• Molecular Weight: 160.16
• Melting Point: 53.0-57.0 °C
• Appearance: White to almost white powder to crystal
• Storage: 0-10°C; Store under inert gas
• Stability: Air sensitive, heat sensitive

• XLogP3-AA: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 159.99942873 g/mol
• Monoisotopic Mass: 159.99942873 g/mol
• Topological Polar Surface Area: 54.5Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 140

• HS Number: 2934.99.4400