| CAS Number | 1267796-04-2 |
| Catalog Number | AG01DV5U |
| Chemical Name | [1-Methyl-5-(trifluoromethyl)-1H-1,2,3-triazol-4-yl]methanol |
| IUPAC Name | [1-methyl-5-(trifluoromethyl)triazol-4-yl]methanol |
| InChI | InChI=1S/C5H6F3N3O/c1-11-4(5(6,7)8)3(2-12)9-10-11/h12H,2H2,1H3 |
| InChI Key | XNOKKVKWKXGWRG-UHFFFAOYSA-N |
| MDL Number | MFCD19273464 |
| Molecular Formula | C5H6F3N3O |
| Molecular Weight | 181.1158 |
| SMILES | CN1C(C(F)(F)F)=C(CO)N=N1 |
| Synonyms | [1-methyl-5-(trifluoromethyl)-1H-1,2,3-triazol-4-yl]methanol,
1267796-04-2,
AKOS022445817,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.118g/mol |
| Monoisotopic Mass | 181.046g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number