| CAS Number | 1512496-52-4 |
| Catalog Number | AG01B1W0 |
| Chemical Name | 2-tert-butyl-2H-1,2,3,4-tetrazole-5-carbaldehyde |
| IUPAC Name | 2-tert-butyltetrazole-5-carbaldehyde |
| InChI | InChI=1S/C6H10N4O/c1-6(2,3)10-8-5(4-11)7-9-10/h4H,1-3H3 |
| InChI Key | NRYLMRXRSFJEAN-UHFFFAOYSA-N |
| MDL Number | MFCD29991534 |
| Molecular Formula | C6H10N4O |
| Molecular Weight | 154.1698 |
| SMILES | CC(N1N=C(C=O)N=N1)(C)C |
| Synonyms | 2-tert-butyl-2H-1,2,3,4-tetrazole-5-carbaldehyde,
ZINC84253684,
1512496-52-4,
|
| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.173g/mol |
| Monoisotopic Mass | 154.085g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 60.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number