| CAS Number | 1204297-90-4 |
| Catalog Number | AG01AQKY(AGN-PC-0WCNHJ) |
| Chemical Name | 3-(4-fluorophenyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione |
| IUPAC Name | 3-(4-fluorophenyl)-1H-pyrimidine-2,4-dione |
| InChI | InChI=1S/C10H7FN2O2/c11-7-1-3-8(4-2-7)13-9(14)5-6-12-10(13)15/h1-6H,(H,12,15) |
| InChI Key | BMFGMMFYIDDQBZ-UHFFFAOYSA-N |
| MDL Number | MFCD16652767 |
| Molecular Formula | C10H7FN2O2 |
| Molecular Weight | 206.1732 |
| SMILES | FC1=CC=C(N2C(=O)NC=CC2=O)C=C1 |
| Synonyms | 3-(4-fluorophenyl)pyrimidine-2,4(1H,3H)-dione,
1204297-90-4,
3-(4-fluorophenyl)-1H-pyrimidine-2,4-dione,
ZINC38478061,
AKOS015956102,
MCULE-1974190077,
F1967-0645,
3-(4-fluorophenyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione,
L-3373,
|
| Complexity | 309 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.176g/mol |
| Monoisotopic Mass | 206.049g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
Lot Number