| CAS Number | 1417517-78-2 |
| Catalog Number | AG01DQS4(AGN-PC-0CL0FJ) |
| Chemical Name | 2-tert-butyl-4-chloro-1,3,5-triazine |
| IUPAC Name | 2-tert-butyl-4-chloro-1,3,5-triazine |
| InChI | InChI=1S/C7H10ClN3/c1-7(2,3)5-9-4-10-6(8)11-5/h4H,1-3H3 |
| InChI Key | IORDUCIBYMFXQP-UHFFFAOYSA-N |
| MDL Number | MFCD23143823 |
| Molecular Formula | C7H10ClN3 |
| Molecular Weight | 171.6274 |
| SMILES | C(C)(C)(C)C1=NC=NC(=N1)Cl |
| Synonyms | 2-tert-butyl-4-chloro-1,3,5-triazine,
1417517-78-2,
SCHEMBL14602892,
|
| Complexity | 132 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.628g/mol |
| Monoisotopic Mass | 171.056g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number