| CAS Number | 126230-75-9 |
| Catalog Number | AG01BVQR |
| Chemical Name | 5-(bromomethyl)-2-tert-butylpyrimidine |
| IUPAC Name | 5-(bromomethyl)-2-tert-butylpyrimidine |
| InChI | InChI=1S/C9H13BrN2/c1-9(2,3)8-11-5-7(4-10)6-12-8/h5-6H,4H2,1-3H3 |
| InChI Key | XSZMKTJVYYBRHQ-UHFFFAOYSA-N |
| MDL Number | MFCD23140466 |
| Molecular Formula | C9H13BrN2 |
| Molecular Weight | 229.1169 |
| SMILES | CC(C1=NC=C(CBr)C=N1)(C)C |
| Synonyms | 5-(bromomethyl)-2-tert-butylpyrimidine,
126230-75-9,
|
| Complexity | 134 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.121g/mol |
| Monoisotopic Mass | 228.026g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 25.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number