5-Fluorouracil

• Catalog: OFC51218
• CAS: 51-21-8
• Category: Fluorinated Pyrimidines
• Synonyms: 5-FU
• Purity: >99.0%(T)(HPLC)
• MDL Number: MFCD00006018

• IUPAC Name: 5-fluoro-1H-pyrimidine-2,4-dione
• InChI: InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
• InChI Key: GHASVSINZRGABV-UHFFFAOYSA-N
• Isomeric SMILES: C1=C(C(=O)NC(=O)N1)F
• EC Number: 200-085-6

• Molecular Formula: C4H3FN2O2
• Molecular Weight: 130.08
• Appearance: White to almost white powder to crystal
• Solubility: Slightly soluble in water

• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 130.01785550 g/mol
• Monoisotopic Mass: 130.01785550 g/mol
• Topological Polar Surface Area: 58.2Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 199

• HS Number: 2933.59.9500