| CAS Number | 1823357-20-5 |
| Catalog Number | AG01EHP3 |
| Chemical Name | 3-bromo-1-ethyl-5-methyl-1H-1,2,4-triazole |
| IUPAC Name | 3-bromo-1-ethyl-5-methyl-1,2,4-triazole |
| InChI | InChI=1S/C5H8BrN3/c1-3-9-4(2)7-5(6)8-9/h3H2,1-2H3 |
| InChI Key | ZPZHZSALQRZLJF-UHFFFAOYSA-N |
| MDL Number | MFCD26938740 |
| Molecular Formula | C5H8BrN3 |
| Molecular Weight | 190.0411 |
| SMILES | N1=C(C)N(N=C1Br)CC |
| Synonyms | 3-Bromo-1-ethyl-5-methyl-1H-1,2,4-triazole,
1823357-20-5,
ALBB-031497,
MFCD26938740,
AKOS032963562,
|
| Complexity | 98.2 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.044g/mol |
| Monoisotopic Mass | 188.99g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number