| CAS Number | 1803585-79-6 |
| Catalog Number | AG01AL3K |
| Chemical Name | 2-(3-bromo-1H-1,2,4-triazol-1-yl)ethan-1-ol hydrochloride |
| IUPAC Name | 2-(3-bromo-1,2,4-triazol-1-yl)ethanol;hydrochloride |
| InChI | InChI=1S/C4H6BrN3O.ClH/c5-4-6-3-8(7-4)1-2-9;/h3,9H,1-2H2;1H |
| InChI Key | XAQNTXDLWQCBDW-UHFFFAOYSA-N |
| MDL Number | MFCD28954228 |
| Molecular Formula | C4H7BrClN3O |
| Molecular Weight | 228.4749 |
| SMILES | Cl.OCCN1N=C(Br)N=C1 |
| Synonyms | 2-(3-bromo-1H-1,2,4-triazol-1-yl)ethan-1-ol hydrochloride,
1803585-79-6,
|
| Complexity | 91.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.946g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.474g/mol |
| Monoisotopic Mass | 226.946g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number