| CAS Number | 1221726-18-6 |
| Catalog Number | AG01A7LC(AGN-PC-0WOBFF) |
| Chemical Name | 2,2,2-trifluoroethyl N-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]carbamate |
| IUPAC Name | 2,2,2-trifluoroethyl N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]carbamate |
| InChI | InChI=1S/C8H11F3N4O2/c1-2-15-5-13-14-6(15)3-12-7(16)17-4-8(9,10)11/h5H,2-4H2,1H3,(H,12,16) |
| InChI Key | IPBFCFYXCLJODK-UHFFFAOYSA-N |
| MDL Number | MFCD14705724 |
| Molecular Formula | C8H11F3N4O2 |
| Molecular Weight | 252.1937 |
| SMILES | CCN1C(CNC(OCC(F)(F)F)=O)=NN=C1 |
| Synonyms | 2,2,2-trifluoroethyl N-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]carbamate,
1221726-18-6,
AC1Q311I,
CTK6F0388,
ZINC39947577,
AKOS026729748,
MCULE-3011641242,
NE51928,
EN300-59064,
Z969559710,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.197g/mol |
| Monoisotopic Mass | 252.083g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 69A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number