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5-fluoro-2,6-dioxo-1,5-dihydropyrimidine-4-carboxylic acid hydrate

5-fluoro-2,6-dioxo-1,5-dihydropyrimidine-4-carboxylic acid hydrate

CAS: 220141-70-8

Formula: C5H5FN2O5

SMILES: [H]O[H].OC(=O)C1=NC(=O)NC(=O)C1F

IUPAC: 5-fluoro-2,6-dioxo-1,2,5,6-tetrahydropyrimidine-4-carboxylic acid hydrate

InChI: InChI=1/C5H3FN2O4.H2O/c6-1-2(4(10)11)7-5(12)8-3(1)9;/h1H,(H,10,11)(H,8,9,12);1H2

Composition: C (31.26%), H (2.62%), F (9.89%), N (14.58%), O (41.64%)

Molar Mass: 192.102

Atom Count: 18

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 192.018249432
Formal Charge 0
FSP3 0.2
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey OGBLNPNYOZAWPM-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 31
Topological Polar Surface Area 95.83
Polarizability 12.04
Ring Count 1
Rotatable Bond Count 1

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