| CAS Number | 1306606-56-3 |
| Catalog Number | AG01AIC4(AGN-PC-0WOCL5) |
| Chemical Name | 2,2,2-trifluoro-1-(trimethyl-1H-pyrazol-4-yl)ethan-1-one |
| IUPAC Name | 2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethanone |
| InChI | InChI=1S/C8H9F3N2O/c1-4-6(5(2)13(3)12-4)7(14)8(9,10)11/h1-3H3 |
| InChI Key | ZIQGDXWRGNPXBL-UHFFFAOYSA-N |
| MDL Number | MFCD18838994 |
| Molecular Formula | C8H9F3N2O |
| Molecular Weight | 206.1651 |
| SMILES | CC1C(C(C(F)(F)F)=O)=C(C)N(C)N=1 |
| Synonyms | 2,2,2-trifluoro-1-(trimethyl-1H-pyrazol-4-yl)ethan-1-one,
1306606-56-3,
2,2,2-trifluoro-1-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethan-1-one,
ZINC68591679,
AKOS013066473,
NE17332,
EN300-77365,
Z1276496836,
1-(1,3,5-Trimethyl-1H-pyrazole-4-yl)-2,2,2-trifluoroethanone,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.168g/mol |
| Monoisotopic Mass | 206.067g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number