| CAS Number | 1559064-19-5 |
| Catalog Number | AG00J2Y3(AGN-PC-0WB66H) |
| Chemical Name | 3-bromo-5-ethyl-1-methyl-1H-1,2,4-triazole |
| IUPAC Name | 3-bromo-5-ethyl-1-methyl-1,2,4-triazole |
| InChI | InChI=1S/C5H8BrN3/c1-3-4-7-5(6)8-9(4)2/h3H2,1-2H3 |
| InChI Key | HXMMLGNJMQMZLK-UHFFFAOYSA-N |
| MDL Number | MFCD26940366 |
| Molecular Formula | C5H8BrN3 |
| Molecular Weight | 190.0411 |
| SMILES | N1=C(CC)N(N=C1Br)C |
| Synonyms | 3-bromo-5-ethyl-1-methyl-1H-1,2,4-triazole,
1559064-19-5,
ALBB-027207,
ZX-AN025716,
ZX-CM010873,
MFCD26940366,
ZINC95496202,
AKOS017259079,
FCH2487427,
A-6946,
1H-1,2,4-triazole, 3-bromo-5-ethyl-1-methyl-,
3-bromo-5-ethyl-1-methyl-1,2,4-triazole,
|
| 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 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number