Catalog | OFC4840691 |
CAS | 4840-69-1 |
Category | Fluorinated Pyrimidines |
Synonyms | 3-Methyl-5-fluorouracil |
Purity | 97% |
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IUPAC Name | 5-fluoro-3-methyl-1H-pyrimidine-2,4-dione |
InChI | InChI=1S/C5H5FN2O2/c1-8-4(9)3(6)2-7-5(8)10/h2H,1H3,(H,7,10) |
InChI Key | BGXNFCXYRIAWDO-UHFFFAOYSA-N |
Isomeric SMILES | CN1C(=O)C(=CNC1=O)F |
Molecular Formula | C5H5FN2O2 |
Molecular Weight | 144.1 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 0 |
Exact Mass | 144.03350557 g/mol |
Monoisotopic Mass | 144.03350557 g/mol |
Topological Polar Surface Area | 49.4Ų |
Heavy Atom Count | 10 |
Formal Charge | 0 |
Complexity | 224 |
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