| CAS Number | 68941-95-7 |
| Catalog Number | AG00FBPE(AGN-PC-0TU4TZ) |
| Chemical Name | 5-Fluorouracil-15N2 |
| IUPAC Name | 5-fluoro-(1,3-15N2)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)/i6+1,7+1 |
| InChI Key | GHASVSINZRGABV-AKZCFXPHSA-N |
| MDL Number | MFCD00143460 |
| Molecular Formula | C4H3FN2O2 |
| Molecular Weight | 132.0640 |
| SMILES | O=C1[15NH]C(=O)[15NH]C=C1F |
| Synonyms | 5-Fluorouracil-15N2,
68941-95-7,
DTXSID60584013,
5-Fluorouracil-15N2, 98 atom % 15N,
5-Fluoro(~15~N_2_)pyrimidine-2,4(1H,3H)-dione,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 132.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 2 |
| Molecular Weight | 132.065g/mol |
| Monoisotopic Mass | 132.012g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.9 |
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Certificate of Analysis
Lot Number