| CAS Number | 1221725-80-9 |
| Catalog Number | AG01A80Y(AGN-PC-0WO2XV) |
| Chemical Name | 2,2,2-trifluoroethyl N-[1-(4-methyl-4H-1,2,4-triazol-3-yl)ethyl]carbamate |
| IUPAC Name | 2,2,2-trifluoroethyl N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]carbamate |
| InChI | InChI=1S/C8H11F3N4O2/c1-5(6-14-12-4-15(6)2)13-7(16)17-3-8(9,10)11/h4-5H,3H2,1-2H3,(H,13,16) |
| InChI Key | RMLODLFOEBGNDG-UHFFFAOYSA-N |
| MDL Number | MFCD15209574 |
| Molecular Formula | C8H11F3N4O2 |
| Molecular Weight | 252.1937 |
| SMILES | CC(C1N(C)C=NN=1)NC(OCC(F)(F)F)=O |
| Synonyms | 2,2,2-trifluoroethyl N-[1-(4-methyl-4H-1,2,4-triazol-3-yl)ethyl]carbamate,
1221725-80-9,
AC1Q2BKX,
CTK6A6144,
AKOS010300332,
MCULE-8297868888,
NE32085,
EN300-60386,
Z743856138,
|
| Complexity | 274 |
| 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 | 4 |
| Topological Polar Surface Area | 69A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
Lot Number