Organofluorine / Alfa Chemistry
5-Fluoro-1-(5-oxo-2,5-dihydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione

5-Fluoro-1-(5-oxo-2,5-dihydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione

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5-Fluoro-1-(5-oxo-2,5-dihydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione
Catalog OFC94767609
CAS 94767-60-9
Category Fluorinated Pyrimidines
Synonyms 2,4(1H,3H)-Pyrimidinedione, 1-(2,5-dihydro-5-oxo-2-furanyl)-5-fluoro-
Purity 97%
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Other Identifiers Chemical Data Computational Chemistry
IUPAC Name 5-fluoro-1-(5-oxo-2H-furan-2-yl)pyrimidine-2,4-dione
InChI InChI=1S/C8H5FN2O4/c9-4-3-11(8(14)10-7(4)13)5-1-2-6(12)15-5/h1-3,5H,(H,10,13,14)
InChI Key SFIXHOUKEHBYIP-UHFFFAOYSA-N
Isomeric SMILES C1=CC(=O)OC1N2C=C(C(=O)NC2=O)F
Molecular Formula C8H5FN2O4
Molecular Weight 212.14
XLogP3-AA -0.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 1
Exact Mass 212.02333481 g/mol
Monoisotopic Mass 212.02333481 g/mol
Topological Polar Surface Area 75.7Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 415

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