| CAS Number | 1256643-69-2 |
| Catalog Number | AG009DU1(AGN-PC-0WB5UR) |
| Chemical Name | 3,5-Dichloro-1-ethyl-1h-1,2,4-triazole |
| IUPAC Name | 3,5-dichloro-1-ethyl-1,2,4-triazole |
| InChI | InChI=1S/C4H5Cl2N3/c1-2-9-4(6)7-3(5)8-9/h2H2,1H3 |
| InChI Key | KMAOLPYBDIZIES-UHFFFAOYSA-N |
| MDL Number | MFCD18381920 |
| Molecular Formula | C4H5Cl2N3 |
| Molecular Weight | 166.0086 |
| SMILES | N1C(Cl)=NN(CC)C=1Cl |
| Synonyms | 3,5-Dichloro-1-ethyl-1H-1,2,4-triazole,
1256643-69-2,
ZX-CM009386,
FCH898579,
MFCD18381920,
ZINC54957017,
AKOS006317479,
AJ-112441,
Y-7889,
3,5-dichloro-1-ethyl-1H-1,2,4-triazole(SALTDATA,
|
| Complexity | 99.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.986g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.005g/mol |
| Monoisotopic Mass | 164.986g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number