| CAS Number | 1443291-26-6 |
| Catalog Number | AG00ISA5(AGN-PC-0WAZED) |
| Chemical Name | 1-(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-1,2,3-triazol-4-yl)ethan-1-ol |
| IUPAC Name | 1-[1-[[3-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethanol |
| InChI | InChI=1S/C12H12F3N3O/c1-8(19)11-7-18(17-16-11)6-9-3-2-4-10(5-9)12(13,14)15/h2-5,7-8,19H,6H2,1H3 |
| InChI Key | QEEYXYCETHMVIQ-UHFFFAOYSA-N |
| MDL Number | MFCD25121137 |
| Molecular Formula | C12H12F3N3O |
| Molecular Weight | 271.2384 |
| SMILES | FC(F)(F)C1(=CC(=CC=C1)CN2(N=NC(=C2)C(O)C)) |
| Synonyms | 1-(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-1,2,3-triazol-4-yl)ethan-1-ol,
1443291-26-6,
CHEMBL3450796,
MFCD25121137,
AKOS016340160,
EH-0720,
KS-000024X6,
|
| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.243g/mol |
| Monoisotopic Mass | 271.093g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 50.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number