| CAS Number | 1142195-70-7 |
| Catalog Number | AG01A6JX(AGN-PC-0WO2D8) |
| Chemical Name | 4-Bromo-2-tert-butylpyrimidine |
| IUPAC Name | 4-bromo-2-tert-butylpyrimidine |
| InChI | InChI=1S/C8H11BrN2/c1-8(2,3)7-10-5-4-6(9)11-7/h4-5H,1-3H3 |
| InChI Key | XUJUVKJZXXPNFM-UHFFFAOYSA-N |
| MDL Number | MFCD11869449 |
| Molecular Formula | C8H11BrN2 |
| Molecular Weight | 215.0903 |
| SMILES | BrC1=NC(=NC=C1)C(C)(C)C |
| Synonyms | 4-bromo-2-tert-butylpyrimidine,
1142195-70-7,
Pyrimidine, 4-bromo-2-(1,1-dimethylethyl)-,
SCHEMBL803797,
4-bromo-2-(tert-butyl)pyrimidine,
ZINC44117118,
AKOS015947196,
NE58089,
|
| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.094g/mol |
| Monoisotopic Mass | 214.011g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 25.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number