| CAS Number | 497851-80-6 |
| Catalog Number | AG01DWG7 |
| Chemical Name | 3-(chloromethyl)-4-ethyl-4H-1,2,4-triazole hydrochloride |
| IUPAC Name | 3-(chloromethyl)-4-ethyl-1,2,4-triazole;hydrochloride |
| InChI | InChI=1S/C5H8ClN3.ClH/c1-2-9-4-7-8-5(9)3-6;/h4H,2-3H2,1H3;1H |
| InChI Key | CYYVJRCYLYNVEK-UHFFFAOYSA-N |
| MDL Number | MFCD20637068 |
| Molecular Formula | C5H9Cl2N3 |
| Molecular Weight | 182.0511 |
| SMILES | Cl.CCN1C(CCl)=NN=C1 |
| Synonyms | 497851-80-6,
SCHEMBL5657276,
CYYVJRCYLYNVEK-UHFFFAOYSA-N,
3-chloromethyl-4-ethyl-4H-1,2,4-triazole hydrochloride,
3-(CHLOROMETHYL)-4-ETHYL-4H-1,2,4-TRIAZOLE HCL,
3-(CHLOROMETHYL)-4-ETHYL-4H-1,2,4-TRIAZOLE HYDROCHLORIDE,
|
| Complexity | 88.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.048g/mol |
| Monoisotopic Mass | 181.017g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number