| CAS Number | 1248676-21-2 |
| Catalog Number | AG01B530 |
| Chemical Name | 4,5-Dibromo-2-ethyl-2H-1,2,3-triazole |
| IUPAC Name | 4,5-dibromo-2-ethyltriazole |
| InChI | InChI=1S/C4H5Br2N3/c1-2-9-7-3(5)4(6)8-9/h2H2,1H3 |
| InChI Key | HSRUCDVHLCXDBM-UHFFFAOYSA-N |
| MDL Number | MFCD29054325 |
| Molecular Formula | C4H5Br2N3 |
| Molecular Weight | 254.9106 |
| SMILES | CCN1N=C(Br)C(Br)=N1 |
| Synonyms | 2-ethyl-4,5-dibromo-2H-1,2,3-triazole,
1248676-21-2,
4,5-dibromo-2-ethyl-2H-1,2,3-triazole,
SCHEMBL15242971,
ZINC223343591,
DA-46723,
FT-0754560,
|
| Complexity | 89.8 |
| 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 | 2.6 |
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Certificate of Analysis
Lot Number