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72975-34-9 | 2,4(1H,3H)-Pyrimidinedione, 5-fluoro-1-(2-oxopropyl)-
CAS No: 72975-34-9 Catalog No: AG005D0U MDL No:
Product Description
Catalog Number:
AG005D0U
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5-fluoro-1-(2-oxopropyl)-
CAS Number:
72975-34-9
Molecular Formula:
C7H7FN2O3
Molecular Weight:
186.1405
IUPAC Name:
5-fluoro-1-(2-oxopropyl)pyrimidine-2,4-dione
InChI:
InChI=1S/C7H7FN2O3/c1-4(11)2-10-3-5(8)6(12)9-7(10)13/h3H,2H2,1H3,(H,9,12,13)
InChI Key:
JZQAIMCHSQGJLZ-UHFFFAOYSA-N
SMILES:
CC(=O)Cn1cc(F)c(=O)[nH]c1=O
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.044g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.142g/mol
Monoisotopic Mass:
186.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
Literature
| Title | Journal |
|---|---|
| Quantitative proteomics and protein network analysis of hippocampal synapses of CaMKIIalpha mutant mice. | Journal of proteome research 20070801 |
| In vivo evaluation of a novel antitumor prodrug, 1-(2'-oxopropyl)-5-fluorouracil (OFU001), which releases 5-fluorouracil upon hypoxic irradiation. | International journal of radiation oncology, biology, physics 20010201 |
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