5-Fluoroorotic Acid Monohydrate

• Catalog: OFC220141708
• CAS: 220141-70-8
• Category: Fluorinated Pyrimidines
• Synonyms: 5-Fluorouracil-6-carboxylic Acid Monohydrate
• Purity: >95.0%(T)(HPLC)
• MDL Number: MFCD00150658

• IUPAC Name: 5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylic acid;hydrate
• InChI: InChI=1S/C5H3FN2O4.H2O/c6-1-2(4(10)11)7-5(12)8-3(1)9;/h(H,10,11)(H2,7,8,9,12);1H2
• InChI Key: LODRRYMGPWQCTR-UHFFFAOYSA-N
• Isomeric SMILES: C1(=C(NC(=O)NC1=O)C(=O)O)F.O
• EC Number: 678-852-3
• Reaxys Registry Number: 181933

• Molecular Formula: C5H3FN2O4·H2O
• Molecular Weight: 192.11
• Appearance: White to light yellow to light orange powder to crystal
• Storage: 0-10°C
• Stability: Heat sensitive

• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 192.01824943 g/mol
• Monoisotopic Mass: 192.01824943 g/mol
• Topological Polar Surface Area: 96.5Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 309

• HS Number: 2933.59.9500