| CAS Number | 1037535-38-8 |
| Catalog Number | AG00HA6G(AGN-PC-0WQXIX) |
| Chemical Name | 4-tert-Butyl-2,6-dichloropyrimidine |
| IUPAC Name | 4-tert-butyl-2,6-dichloropyrimidine |
| InChI | InChI=1S/C8H10Cl2N2/c1-8(2,3)5-4-6(9)12-7(10)11-5/h4H,1-3H3 |
| InChI Key | JJSOWDBHBXDLTP-UHFFFAOYSA-N |
| MDL Number | MFCD18916413 |
| Molecular Formula | C8H10Cl2N2 |
| Molecular Weight | 205.0844 |
| SMILES | CC(C1=NC(Cl)=NC(Cl)=C1)(C)C |
| Synonyms | 4-TERT-BUTYL-2,6-DICHLOROPYRIMIDINE,
1037535-38-8,
4-(tert-Butyl)-2,6-dichloropyrimidine,
4-tert-butyl-2,6-dichloro-pyrimidine,
SCHEMBL2721824,
DTXSID30731638,
JJSOWDBHBXDLTP-UHFFFAOYSA-N,
MFCD18916413,
ZINC72193231,
AKOS015049507,
AS-38393,
|
| Complexity | 156 |
| 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