3-Benzyl-5-fluoropyrimidine-2,4(1H,3H)-dione

• Catalog: OFC77384895
• CAS: 77384-89-5
• Category: Fluorinated Pyrimidines
• Purity: 97%

• IUPAC Name: 3-benzyl-5-fluoro-1H-pyrimidine-2,4-dione
• InChI: InChI=1S/C11H9FN2O2/c12-9-6-13-11(16)14(10(9)15)7-8-4-2-1-3-5-8/h1-6H,7H2,(H,13,16)
• InChI Key: QWYRVCJZUMRTJJ-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC=C(C=C1)CN2C(=O)C(=CNC2=O)F

• Molecular Formula: C11H9FN2O2
• Molecular Weight: 220.20

• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 220.06480570 g/mol
• Monoisotopic Mass: 220.06480570 g/mol
• Topological Polar Surface Area: 49.4Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 335