| CAS Number | 1243250-10-3 |
| Catalog Number | AG009DXE(AGN-PC-0WB5TR) |
| Chemical Name | 3-Bromo-1-ethyl-1H-1,2,4-triazol-5(4H)-one |
| IUPAC Name | 5-bromo-2-ethyl-4H-1,2,4-triazol-3-one |
| InChI | InChI=1S/C4H6BrN3O/c1-2-8-4(9)6-3(5)7-8/h2H2,1H3,(H,6,7,9) |
| InChI Key | DPNFETVBWMNYHR-UHFFFAOYSA-N |
| MDL Number | MFCD17078876 |
| Molecular Formula | C4H6BrN3O |
| Molecular Weight | 192.0139 |
| SMILES | N1C(Br)=NN(CC)C1=O |
| Synonyms | 1243250-10-3,
5-Bromo-2-ethyl-2,4-dihydro-3H-1,2,4-triazol-3-one,
3-Bromo-1-ethyl-1H-1,2,4-triazol-5(4H)-one,
ZX-CM009216,
MFCD17078876,
ZINC49584945,
AKOS022185623,
FCH1012646,
AJ-111201,
Y-7773,
5-bromo-2-ethyl-2,4-dihydro-3H-1,2,4-triazol-3-one(SALTDATA,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.016g/mol |
| Monoisotopic Mass | 190.969g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 44.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number