| CAS Number | 41103-18-8 |
| Catalog Number | AG01DWF1(AGN-PC-0RPVZ7) |
| Chemical Name | 4-amino-6-chloro-1,2-dihydropyrimidin-2-one hydrochloride |
| IUPAC Name | 4-amino-6-chloro-1H-pyrimidin-2-one;hydrochloride |
| InChI | InChI=1S/C4H4ClN3O.ClH/c5-2-1-3(6)8-4(9)7-2;/h1H,(H3,6,7,8,9);1H |
| InChI Key | MYLWYDLFKKRSDA-UHFFFAOYSA-N |
| MDL Number | MFCD31616781 |
| Molecular Formula | C4H5Cl2N3O |
| Molecular Weight | 182.0080 |
| NSC Number | 212414 |
| SMILES | Nc1cc(Cl)[nH]c(=O)n1.Cl |
| Synonyms | 41103-18-8,
4-amino-6-chloro-1,2-dihydropyrimidin-2-one hydrochloride,
SCHEMBL9534244,
DTXSID90603125,
NSC212414,
NSC-212414,
4-Amino-6-chloropyrimidin-2(1H)-one--hydrogen chloride (1/1),
4-amino-6-chloro-1H-pyrimidin-2-one,hydrochloride,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.981g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.004g/mol |
| Monoisotopic Mass | 180.981g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 67.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number