Catalog | OFC88740572 |
CAS | 88740-57-2 |
Category | Fluorinated Pyrimidines |
Synonyms | 5-Fluoro-1-(pyridine-2-carbonyl)pyrimidine-2,4(1H,3H)-dione |
Purity | 97% |
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IUPAC Name | 5-fluoro-1-(pyridine-2-carbonyl)pyrimidine-2,4-dione |
InChI | InChI=1S/C10H6FN3O3/c11-6-5-14(10(17)13-8(6)15)9(16)7-3-1-2-4-12-7/h1-5H,(H,13,15,17) |
InChI Key | GFAMMSVQPUGGPG-UHFFFAOYSA-N |
Isomeric SMILES | C1=CC=NC(=C1)C(=O)N2C=C(C(=O)NC2=O)F |
Molecular Formula | C10H6FN3O3 |
Molecular Weight | 235.17 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 1 |
Exact Mass | 235.03931922 g/mol |
Monoisotopic Mass | 235.03931922 g/mol |
Topological Polar Surface Area | 79.4Ų |
Heavy Atom Count | 17 |
Formal Charge | 0 |
Complexity | 408 |
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