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696-06-0

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Basic Information
CAS No.: 696-06-0
Name: 5-FLUORO-DIHYDRO-PYRIMIDINE-2,4-DIONE
Article Data: 1
Molecular Structure:
Molecular Structure of 696-06-0 (5-FLUORO-DIHYDRO-PYRIMIDINE-2,4-DIONE)
Formula: C4H5FN2O2
Molecular Weight: 132.094
Synonyms: Hydrouracil,5-fluoro- (6CI,7CI,8CI);5,6-Dihydro-5-fluorouracil;5-Fluoro-5,6-dihydrouracil;5-Fluorodihydrouracil;5-Fluorohydrouracil;Dihydro-5-fluorouracil;
Density: 1.43 g/cm3
Melting Point: 228-230 °C
Appearance: White Solid
PSA: 58.20000
LogP: -0.17850
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Specification

The 2,4(1H,3H)-Pyrimidinedione,5-fluorodihydro-, with the CAS registry number 696-06-0, is also known as 5,6-Dihydrofluorouracil. It belongs to the product categories of Various Metabolites and Impurities; Bases & Related Reagents; Intermediates & Fine Chemicals; Metabolites & Impurities; Nucleotides; Pharmaceuticals. This chemical's molecular formula is C4H5FN2O2 and molecular weight is 132.093103. Its IUPAC name is called 5-fluoro-1,3-diazinane-2,4-dione. What's more, this chemical is a white solid which can be used as metabolite of 5-Fluorouracil.

Physical properties of 2,4(1H,3H)-Pyrimidinedione,5-fluorodihydro-: (1)ACD/LogP: -0.86; (2)ACD/LogD (pH 5.5): -0.86; (3)ACD/LogD (pH 7.4): -0.86; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 8.15; (7)ACD/KOC (pH 7.4): 8.14; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)Index of Refraction: 1.48; (11)Molar Refractivity: 26.14 cm3; (12)Molar Volume: 92 cm3; (13)Surface Tension: 42.1 dyne/cm; (14)Density: 1.43 g/cm3.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1C(C(=O)NC(=O)N1)F
(2)InChI: InChI=1S/C4H5FN2O2/c5-2-1-6-4(9)7-3(2)8/h2H,1H2,(H2,6,7,8,9)
(3)InChIKey: RAIRJKWTBBDDAR-UHFFFAOYSA-N