| CAS Number | 1989672-15-2 |
| Catalog Number | AG01B6E9 |
| Chemical Name | 5-(2-bromoethyl)-2-tert-butyl-2H-1,2,3,4-tetrazole |
| IUPAC Name | 5-(2-bromoethyl)-2-tert-butyltetrazole |
| InChI | InChI=1S/C7H13BrN4/c1-7(2,3)12-10-6(4-5-8)9-11-12/h4-5H2,1-3H3 |
| InChI Key | BHVQASIRJPOEQK-UHFFFAOYSA-N |
| MDL Number | MFCD30342812 |
| Molecular Formula | C7H13BrN4 |
| Molecular Weight | 233.1089 |
| SMILES | CC(N1N=C(CCBr)N=N1)(C)C |
| Synonyms | 5-(2-bromoethyl)-2-tert-butyl-2H-1,2,3,4-tetrazole,
ZINC521399037,
1989672-15-2,
|
| Complexity | 145 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.113g/mol |
| Monoisotopic Mass | 232.032g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number