| CAS Number | 42748-90-3 |
| Catalog Number | AG00I893(AGN-PC-0WOIF7) |
| Chemical Name | 5-Chloro-2-hydroxypyrimidine HCl |
| IUPAC Name | 5-chloro-1H-pyrimidin-2-one;hydrochloride |
| InChI | InChI=1S/C4H3ClN2O.ClH/c5-3-1-6-4(8)7-2-3;/h1-2H,(H,6,7,8);1H |
| InChI Key | GRLWQORZOWPFCM-UHFFFAOYSA-N |
| MDL Number | MFCD09250871 |
| Molecular Formula | C4H4Cl2N2O |
| Molecular Weight | 166.9934 |
| SMILES | O=C1N=CC(Cl)=CN1.[H]Cl |
| Synonyms | 5-chloropyrimidin-2-one,
5-chloropyrimidin-2-one hydrochloride,
5-chloropyrimidin-2-one monohydrochloride,
5-chloropyrimidin-2-ol hydrochloride,
42748-90-3,
5-Chloro-2-hydroxy-pyrimidine HCl,
5-Chloropyrimidin-2-one;NY3000,
5-Chloropyrimidin-2(1H)-one hydrochloride,
5-chloropyrimidone hydrochloride,
SCHEMBL1938631,
5-?Chloro-?2-?hydroxypyrimidine,
5-Chloro-2-hydroxypyrimidine HCl,
GRLWQORZOWPFCM-UHFFFAOYSA-N,
5-Chloropyrimidin-2-olhydrochloride,
MFCD09250871,
5-chloropyrimidin-2-one hydrochloride,
5-chloro-pyrimidin-2-one hydrochloride,
5-Chloropyrimidine-2-one hydrochloride,
5-chloro-2-hydroxypyrimidine hydrochloride,
K-8847,
54326-16-8,
|
| Complexity | 173 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.989g/mol |
| Monoisotopic Mass | 165.97g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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