| CAS Number | 1698267-51-4 |
| Catalog Number | AG01ALIB |
| Chemical Name | (4-Bromo-1-methyl-1H-1,2,3-triazol-5-yl)methanol |
| IUPAC Name | (5-bromo-3-methyltriazol-4-yl)methanol |
| InChI | InChI=1S/C4H6BrN3O/c1-8-3(2-9)4(5)6-7-8/h9H,2H2,1H3 |
| InChI Key | DNPSGQZGGCKCAL-UHFFFAOYSA-N |
| MDL Number | MFCD28968203 |
| Molecular Formula | C4H6BrN3O |
| Molecular Weight | 192.0139 |
| SMILES | BrC=1N=NN(C1CO)C |
| Synonyms | (4-bromo-1-methyl-1H-1,2,3-triazol-5-yl)methanol,
1698267-51-4,
ZINC214670450,
|
| Complexity | 102 |
| 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 | 3 |
| 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 | 50.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number