Methyl 3-(2-amino-4-fluorophenoxy)thiophene-2-carboxylate

• Catalog: OFC886360594
• CAS: 886360-59-4
• Category: Fluorinated Thiophenes
• Synonyms: Methyl 3-(2-amino-4-fluorophenoxy)-2-thenoate; 5-Fluoro-2-{[2-(methoxycarbonyl)thien-3-yl]oxy}aniline
• MDL Number: MFCD04117805

• IUPAC Name: methyl 3-(2-amino-4-fluorophenoxy)thiophene-2-carboxylate
• InChI: InChI=1S/C12H10FNO3S/c1-16-12(15)11-10(4-5-18-11)17-9-3-2-7(13)6-8(9)14/h2-6H,14H2,1H3
• InChI Key: FHXTYBHQCBXILU-UHFFFAOYSA-N
• Isomeric SMILES: COC(=O)C1=C(C=CS1)OC2=C(C=C(C=C2)F)N

• Molecular Formula: C12H10FNO3S
• Molecular Weight: 267.28
• Melting Point: 106-108 °C

• XLogP3-AA: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 267.03654252 g/mol
• Monoisotopic Mass: 267.03654252 g/mol
• Topological Polar Surface Area: 89.8Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 305