| CAS Number | 1249047-50-4 |
| Catalog Number | AG01BXQC |
| Chemical Name | 4-(butan-2-yloxy)-6-chloro-2-methylpyrimidine |
| IUPAC Name | 4-butan-2-yloxy-6-chloro-2-methylpyrimidine |
| InChI | InChI=1S/C9H13ClN2O/c1-4-6(2)13-9-5-8(10)11-7(3)12-9/h5-6H,4H2,1-3H3 |
| InChI Key | RNJQNJGTUUSIIQ-UHFFFAOYSA-N |
| MDL Number | MFCD16768956 |
| Molecular Formula | C9H13ClN2O |
| Molecular Weight | 200.6653 |
| SMILES | CCC(OC1=NC(C)=NC(Cl)=C1)C |
| Synonyms | 4-(butan-2-yloxy)-6-chloro-2-methylpyrimidine,
1249047-50-4,
AKOS011771289,
|
| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.666g/mol |
| Monoisotopic Mass | 200.072g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number