| CAS Number | 118089-42-2 |
| Catalog Number | AG01DV1I(AGN-PC-040ZT3) |
| Chemical Name | 2-tert-Butyl-4-chloro-5-iodopyrimidine |
| IUPAC Name | 2-tert-butyl-4-chloro-5-iodopyrimidine |
| InChI | InChI=1S/C8H10ClIN2/c1-8(2,3)7-11-4-5(10)6(9)12-7/h4H,1-3H3 |
| InChI Key | LYGFPSSXCLWRMZ-UHFFFAOYSA-N |
| MDL Number | MFCD21744144 |
| Molecular Formula | C8H10ClIN2 |
| Molecular Weight | 296.5359 |
| SMILES | CC(C1=NC(Cl)=C(I)C=N1)(C)C |
| Synonyms | 2-tert-butyl-4-chloro-5-iodopyrimidine,
118089-42-2,
AKOS015638954,
2-(tert-butyl)-4-chloro-5-iodopyrimidine,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.958g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 296.536g/mol |
| Monoisotopic Mass | 295.958g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 25.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number