| CAS Number | 1384431-15-5 |
| Catalog Number | AG01E8GR(AGN-PC-0WOA0V) |
| Chemical Name | 6-Chloro-5-iodopyrimidin-4-ol |
| IUPAC Name | 4-chloro-5-iodo-1H-pyrimidin-6-one |
| InChI | InChI=1S/C4H2ClIN2O/c5-3-2(6)4(9)8-1-7-3/h1H,(H,7,8,9) |
| InChI Key | FVUCFWQMHIUOHD-UHFFFAOYSA-N |
| MDL Number | MFCD22369901 |
| Molecular Formula | C4H2ClIN2O |
| Molecular Weight | 256.4289 |
| SMILES | OC1=C(I)C(Cl)=NC=N1 |
| Synonyms | 6-chloro-5-iodopyrimidin-4-ol,
1384431-15-5,
ZINC74942561,
AKOS026729293,
NE42695,
Z1695906759,
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.89g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.427g/mol |
| Monoisotopic Mass | 255.89g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number