| CAS Number | 1909336-51-1 |
| Catalog Number | AG01B27S |
| Chemical Name | ethyl 2-tert-butyl-2H-1,2,3,4-tetrazole-5-carboxylate |
| IUPAC Name | ethyl 2-tert-butyltetrazole-5-carboxylate |
| InChI | InChI=1S/C8H14N4O2/c1-5-14-7(13)6-9-11-12(10-6)8(2,3)4/h5H2,1-4H3 |
| InChI Key | YLSMFHPOPAQWDT-UHFFFAOYSA-N |
| MDL Number | MFCD29907344 |
| Molecular Formula | C8H14N4O2 |
| Molecular Weight | 198.2224 |
| SMILES | CCOC(C1=NN(C(C)(C)C)N=N1)=O |
| Synonyms | ethyl 2-tert-butyl-2H-1,2,3,4-tetrazole-5-carboxylate,
1909336-51-1,
AKOS033928030,
ZINC261228385,
Z2492774559,
|
| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.112g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.226g/mol |
| Monoisotopic Mass | 198.112g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 69.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number