| CAS Number | 1547646-28-5 |
| Catalog Number | AG01B27T |
| Chemical Name | 2-tert-Butyl-2H-1,2,3,4-tetrazole-5-carboxylic acid |
| IUPAC Name | 2-tert-butyltetrazole-5-carboxylic acid |
| InChI | InChI=1S/C6H10N4O2/c1-6(2,3)10-8-4(5(11)12)7-9-10/h1-3H3,(H,11,12) |
| InChI Key | MKXPRLZWGWNEAZ-UHFFFAOYSA-N |
| MDL Number | MFCD29991571 |
| Molecular Formula | C6H10N4O2 |
| Molecular Weight | 170.1692 |
| SMILES | C(C)(C)(C)N1N=C(N=N1)C(=O)O |
| Synonyms | 2-tert-butyl-2H-1,2,3,4-tetrazole-5-carboxylic acid,
1547646-28-5,
SCHEMBL19268315,
AKOS023769315,
ZINC108265464,
Z2512942929,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.172g/mol |
| Monoisotopic Mass | 170.08g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 80.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number