| CAS Number | 1111832-69-9 |
| Catalog Number | AG01BI5W |
| Chemical Name | 4-Chloro-2-cyclobutyl-6-methylpyrimidine |
| IUPAC Name | 4-chloro-2-cyclobutyl-6-methylpyrimidine |
| InChI | InChI=1S/C9H11ClN2/c1-6-5-8(10)12-9(11-6)7-3-2-4-7/h5,7H,2-4H2,1H3 |
| InChI Key | GSWYMTJPWZRJMU-UHFFFAOYSA-N |
| MDL Number | MFCD21117506 |
| Molecular Formula | C9H11ClN2 |
| Molecular Weight | 182.6500 |
| SMILES | CC1=NC(C2CCC2)=NC(Cl)=C1 |
| Synonyms | 4-chloro-2-cyclobutyl-6-methylpyrimidine,
1111832-69-9,
ZINC83120201,
AKOS014312892,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.651g/mol |
| Monoisotopic Mass | 182.061g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 25.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number