| CAS Number | 1380492-54-5 |
| Catalog Number | AG01EIF4 |
| Chemical Name | 4-(tert-butyl)-3-phenyl-4h-1,2,4-triazole |
| IUPAC Name | 4-tert-butyl-3-phenyl-1,2,4-triazole |
| InChI | InChI=1S/C12H15N3/c1-12(2,3)15-9-13-14-11(15)10-7-5-4-6-8-10/h4-9H,1-3H3 |
| InChI Key | SXQCUICPALGDDP-UHFFFAOYSA-N |
| MDL Number | MFCD25689067 |
| Molecular Formula | C12H15N3 |
| Molecular Weight | 201.2676 |
| SMILES | CC(N1C(C2=CC=CC=C2)=NN=C1)(C)C |
| Synonyms | 4-tert-butyl-3-phenyl-4H-1,2,4-triazole,
1380492-54-5,
AKOS034132238,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.273g/mol |
| Monoisotopic Mass | 201.127g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number