| CAS Number | 1248676-59-6 |
| Catalog Number | AG01B532 |
| Chemical Name | 4,5-Dibromo-1-ethyl-1H-1,2,3-triazole |
| IUPAC Name | 4,5-dibromo-1-ethyltriazole |
| InChI | InChI=1S/C4H5Br2N3/c1-2-9-4(6)3(5)7-8-9/h2H2,1H3 |
| InChI Key | SXXZCRDVXXAQDK-UHFFFAOYSA-N |
| MDL Number | MFCD30486924 |
| Molecular Formula | C4H5Br2N3 |
| Molecular Weight | 254.9106 |
| SMILES | BrC=1N=NN(C1Br)CC |
| Synonyms | 4,5-dibromo-1-ethyl-1H-1,2,3-triazole,
1248676-59-6,
SCHEMBL5276690,
ZINC204877309,
|
| Complexity | 99.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.883g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.913g/mol |
| Monoisotopic Mass | 252.885g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number