Methyl 4-bromo-5-(difluoromethyl)thiophene-2-carboxylate

• Catalog: OFC1207557478
• CAS: 1207557-47-8
• Category: Fluorinated Thiophenes
• Purity: 97%
• MDL Number: MFCD22200335

• IUPAC Name: methyl 4-bromo-5-(difluoromethyl)thiophene-2-carboxylate
• InChI: InChI=1S/C7H5BrF2O2S/c1-12-7(11)4-2-3(8)5(13-4)6(9)10/h2,6H,1H3
• InChI Key: SYAUEMYKGPPNQA-UHFFFAOYSA-N
• Isomeric SMILES: COC(=O)C1=CC(=C(S1)C(F)F)Br

• Molecular Formula: C7H5BrF2O2S
• Molecular Weight: 271.08

• XLogP3-AA: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 269.91617 g/mol
• Monoisotopic Mass: 269.91617 g/mol
• Topological Polar Surface Area: 54.5Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 203