| CAS Number | 1044771-51-8 |
| Catalog Number | AG01A0WI(AGN-PC-0WOEEK) |
| Chemical Name | 2-tert-butyl-4,6-dichloropyrimidine |
| IUPAC Name | 2-tert-butyl-4,6-dichloropyrimidine |
| InChI | InChI=1S/C8H10Cl2N2/c1-8(2,3)7-11-5(9)4-6(10)12-7/h4H,1-3H3 |
| InChI Key | INTDGBJUITUUCN-UHFFFAOYSA-N |
| MDL Number | MFCD11045675 |
| Molecular Formula | C8H10Cl2N2 |
| Molecular Weight | 205.0844 |
| SMILES | CC(C1=NC(Cl)=CC(Cl)=N1)(C)C |
| Synonyms | 1044771-51-8,
2-tert-butyl-4,6-dichloropyrimidine,
2-(tert-Butyl)-4,6-dichloropyrimidine,
SCHEMBL1350091,
ZINC58048940,
AKOS012921062,
4,6-DICHLORO-2-TERTBUTYLPYRIMIDINE,
BB 0258213,
Pyrimidine,4,6-dichloro-2-(1,1-dimethylethyl)-,
2-tert-Butyl-4,6-dichloro-pyrimidine,
|
| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.082g/mol |
| Monoisotopic Mass | 204.022g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 25.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number