| CAS Number | 1396408-90-4 |
| Catalog Number | AG01EH8Z |
| Chemical Name | 5-Iodo-1,3-bis(methoxymethyl)pyrimidine-2,4-dione |
| IUPAC Name | 5-iodo-1,3-bis(methoxymethyl)pyrimidine-2,4-dione |
| InChI | InChI=1S/C8H11IN2O4/c1-14-4-10-3-6(9)7(12)11(5-15-2)8(10)13/h3H,4-5H2,1-2H3 |
| InChI Key | IDQPGABOFSFEQM-UHFFFAOYSA-N |
| MDL Number | MFCD32065692 |
| Molecular Formula | C8H11IN2O4 |
| Molecular Weight | 326.0884 |
| SMILES | COCn1cc(I)c(=O)n(c1=O)COC |
| Synonyms | 5-IOdo-1,3-bis(methoxymethyl)pyrimidine-2,4-dione,
1396408-90-4,
|
| Complexity | 305 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 325.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 326.09g/mol |
| Monoisotopic Mass | 325.976g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 59.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
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Certificate of Analysis
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