1-(4-Fluorobenzyl)dihydropyrimidine-2,4(1H,3H)-dione

• Catalog: OFC1263216756
• CAS: 1263216-75-6
• Category: Fluorinated Pyrimidines
• Synonyms: 1-(4-Fluoro-benzyl)-dihydro-pyrimidine-2,4-dione
• Purity: 97%
• MDL Number: MFCD18325120

• IUPAC Name: 1-[(4-fluorophenyl)methyl]-1,3-diazinane-2,4-dione
• InChI: InChI=1S/C11H11FN2O2/c12-9-3-1-8(2-4-9)7-14-6-5-10(15)13-11(14)16/h1-4H,5-7H2,(H,13,15,16)
• InChI Key: SCWYIPKGJFKTTO-UHFFFAOYSA-N
• Isomeric SMILES: C1CN(C(=O)NC1=O)CC2=CC=C(C=C2)F

• Molecular Formula: C11H11FN2O2
• Molecular Weight: 222.22
• Storage: Inert atmosphere, 2-8°C

• XLogP3-AA: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 222.08045576 g/mol
• Monoisotopic Mass: 222.08045576 g/mol
• Topological Polar Surface Area: 49.4Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 288