| CAS Number | 1393532-87-0 |
| Catalog Number | AG01B531 |
| Chemical Name | 4-Bromo-1-Ethyl-1H-1,2,3-Triazole |
| IUPAC Name | 4-bromo-1-ethyltriazole |
| InChI | InChI=1S/C4H6BrN3/c1-2-8-3-4(5)6-7-8/h3H,2H2,1H3 |
| InChI Key | FIRHFRKPPWAXGZ-UHFFFAOYSA-N |
| MDL Number | MFCD22547850 |
| Molecular Formula | C4H6BrN3 |
| Molecular Weight | 176.0145 |
| SMILES | BrC=1N=NN(C1)CC |
| Synonyms | 4-BROMO-1-ETHYL-1H-1,2,3-TRIAZOLE,
1393532-87-0,
SCHEMBL19830214,
ZINC95774088,
AKOS024200040,
AB84654,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number