| CAS Number | 1248676-97-2 |
| Catalog Number | AG01ALGY |
| Chemical Name | 4-Bromo-2-ethyl-2H-1,2,3-triazole |
| IUPAC Name | 4-bromo-2-ethyltriazole |
| InChI | InChI=1S/C4H6BrN3/c1-2-8-6-3-4(5)7-8/h3H,2H2,1H3 |
| InChI Key | PUVQVJPJOFGBFT-UHFFFAOYSA-N |
| MDL Number | MFCD30497439 |
| Molecular Formula | C4H6BrN3 |
| Molecular Weight | 176.0145 |
| SMILES | BrC1=NN(N=C1)CC |
| Synonyms | 4-bromo-2-ethyl-2H-1,2,3-triazole,
1248676-97-2,
ZINC84308179,
|
| Complexity | 77.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.017g/mol |
| Monoisotopic Mass | 174.975g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number