| CAS Number | 1822666-76-1 |
| Catalog Number | AG01DZ1O |
| Chemical Name | 1-(5-CHLOROPYRIMIDIN-2-YL)ETHAN-1-ONE |
| IUPAC Name | 1-(5-chloropyrimidin-2-yl)ethanone |
| InChI | InChI=1S/C6H5ClN2O/c1-4(10)6-8-2-5(7)3-9-6/h2-3H,1H3 |
| InChI Key | NITDGGLOEWJFEJ-UHFFFAOYSA-N |
| MDL Number | MFCD23381284 |
| Molecular Formula | C6H5ClN2O |
| Molecular Weight | 156.5697 |
| SMILES | CC(C1=NC=C(Cl)C=N1)=O |
| Synonyms | 1-(5-Chloropyrimidin-2-yl)ethan-1-one,
1-(5-Chloropyrimidin-2-yl)ethanone,
1822666-76-1,
ZINC238158627,
|
| Complexity | 132 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.569g/mol |
| Monoisotopic Mass | 156.009g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
Lot Number