Ethyl 2-amino-4-(4-fluorophenyl)thiophene-3-carboxylate

• Catalog: OFC35978337
• CAS: 35978-33-7
• Category: Fluorinated Thiophenes
• Synonyms: 2-Amino-4-(4-fluoro-phenyl)-thiophene-3-carboxylic acid ethyl ester
• MDL Number: MFCD00239291

• IUPAC Name: ethyl 2-amino-4-(4-fluorophenyl)thiophene-3-carboxylate
• InChI: InChI=1S/C13H12FNO2S/c1-2-17-13(16)11-10(7-18-12(11)15)8-3-5-9(14)6-4-8/h3-7H,2,15H2,1H3
• InChI Key: CJMZLCRLBNZJQR-UHFFFAOYSA-N
• Isomeric SMILES: CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)N
• EC Number: 672-785-3

• Molecular Formula: C13H12FNO2S
• Molecular Weight: 265.30
• Melting Point: 87-94 °C

• XLogP3-AA: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 265.05727796 g/mol
• Monoisotopic Mass: 265.05727796 g/mol
• Topological Polar Surface Area: 80.6Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 295