| CAS Number | 1864052-48-1 |
| Catalog Number | AG01C1BK |
| Chemical Name | 1-(1H-1,2,3-triazol-4-yl)ethan-1-one hydrochloride |
| IUPAC Name | 1-(2H-triazol-4-yl)ethanone;hydrochloride |
| InChI | InChI=1S/C4H5N3O.ClH/c1-3(8)4-2-5-7-6-4;/h2H,1H3,(H,5,6,7);1H |
| InChI Key | ZHOMUJADFYKONX-UHFFFAOYSA-N |
| MDL Number | MFCD29041361 |
| Molecular Formula | C4H6ClN3O |
| Molecular Weight | 147.5629 |
| SMILES | CC(=O)C1N=NNC=1.[H]Cl |
| Synonyms | 1-(1H-1,2,3-Triazol-4-yl)ethanone hydrochloride,
1864052-48-1,
1-(1H-1,2,3-triazol-4-yl)ethan-1-one hydrochloride,
|
| Complexity | 104 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 147.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 147.562g/mol |
| Monoisotopic Mass | 147.02g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number