| CAS Number | 62022-10-0 |
| Catalog Number | AG00EXY5(AGN-PC-0NII7I) |
| Chemical Name | 2-Chloro-6-methylpyrimidin-4(1H)-one |
| IUPAC Name | 2-chloro-4-methyl-1H-pyrimidin-6-one |
| InChI | InChI=1S/C5H5ClN2O/c1-3-2-4(9)8-5(6)7-3/h2H,1H3,(H,7,8,9) |
| InChI Key | QNTWCOWNUXBTBR-UHFFFAOYSA-N |
| MDL Number | MFCD18975841 |
| Molecular Formula | C5H5ClN2O |
| Molecular Weight | 144.5590 |
| SMILES | O=C1N=C(Cl)NC(C)=C1 |
| Synonyms | 62022-10-0,
2-Chloro-6-methylpyrimidin-4(1H)-one,
2-chloro-6-methylpyrimidin-4-ol,
2-Chloro-4-hydroxy-6-methylpyrimidine,
4(1H)-Pyrimidinone, 2-chloro-6-methyl-,
4(1H)-Pyrimidinone, 2-chloro-6-methyl- (9CI),
SCHEMBL8567565,
CTK2C8623,
DTXSID20487511,
QNTWCOWNUXBTBR-UHFFFAOYSA-N,
ZINC39053049,
AKOS009190080,
6-Methyl-2-chloro-4-hydroxypyrimidine,
AJ-97612,
SY199867,
MFCD16663000 (95%),
4 -Pyrimidinone,2-chloro-6-methyl-,
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| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 144.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 144.558g/mol |
| Monoisotopic Mass | 144.009g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number