Methyl 2-(3-bromo-5,7-difluoroquinolin-6-yl)acetate

• Catalog: OFC1022092109
• CAS: 1022092-10-9
• Category: Fluorinated Quinolines
• Synonyms: (3-bromo-5,7-difluoro-quinolin-6-yl)-acetic acid methyl ester
• Purity: >95%
• MDL Number: MFCD19687418

• IUPAC Name: methyl 2-(3-bromo-5,7-difluoroquinolin-6-yl)acetate
• InChI: InChI=1S/C12H8BrF2NO2/c1-18-11(17)3-7-9(14)4-10-8(12(7)15)2-6(13)5-16-10/h2,4-5H,3H2,1H3
• InChI Key: MPCQCUFHOYNRSM-UHFFFAOYSA-N
• Isomeric SMILES: COC(=O)CC1=C(C=C2C(=C1F)C=C(C=N2)Br)F

• Molecular Formula: C12H8BrF2NO2
• Molecular Weight: 316.10
• Storage: Sealed in dry, 2-8 °C

• XLogP3-AA: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 314.97065 g/mol
• Monoisotopic Mass: 314.97065 g/mol
• Topological Polar Surface Area: 39.2Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 319