| CAS Number | 848499-91-2 |
| Catalog Number | AG01AHBP(AGN-PC-06NO5U) |
| Chemical Name | 2-tert-Butyl-4-chloro-6-methylpyrimidine |
| IUPAC Name | 2-tert-butyl-4-chloro-6-methylpyrimidine |
| InChI | InChI=1S/C9H13ClN2/c1-6-5-7(10)12-8(11-6)9(2,3)4/h5H,1-4H3 |
| InChI Key | IJMQRFDXLVDRER-UHFFFAOYSA-N |
| MDL Number | MFCD11045671 |
| Molecular Formula | C9H13ClN2 |
| Molecular Weight | 184.6659 |
| SMILES | C(C)(C)(C)C1=NC(=CC(=N1)Cl)C |
| Synonyms | 2-tert-butyl-4-chloro-6-methylpyrimidine,
848499-91-2,
AC1Q2OSU,
SCHEMBL2625503,
ZINC37504358,
AKOS009578834,
NE33730,
EN300-74266,
|
| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.667g/mol |
| Monoisotopic Mass | 184.077g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 25.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number