| CAS Number | 1174848-25-9 |
| Catalog Number | AG01A2JN(AGN-PC-0WBCKW) |
| Chemical Name | 1-(1-ethyl-1H-pyrazol-4-yl)-2,2,2-trifluoroethan-1-one |
| IUPAC Name | 1-(1-ethylpyrazol-4-yl)-2,2,2-trifluoroethanone |
| InChI | InChI=1S/C7H7F3N2O/c1-2-12-4-5(3-11-12)6(13)7(8,9)10/h3-4H,2H2,1H3 |
| InChI Key | GHCNDJSHSRZDCT-UHFFFAOYSA-N |
| MDL Number | MFCD10699048 |
| Molecular Formula | C7H7F3N2O |
| Molecular Weight | 192.1385 |
| SMILES | CCN1N=CC(C(C(F)(F)F)=O)=C1 |
| Synonyms | 1-(1-ethyl-1H-pyrazol-4-yl)-2,2,2-trifluoroethan-1-one,
1174848-25-9,
1-(1-ethyl-1H-pyrazol-4-yl)-2,2,2-trifluoroethanone,
SBB026798,
STK510212,
ZINC35655550,
AKOS005168718,
MCULE-9878733570,
NE41962,
1-(1-Ethyl-1H-pyrazole-4-yl)-2,2,2-trifluoroethanone,
1-(1-ethylpyrazol-4-yl)-2,2,2-trifluoroethan-1-one,
F8881-0477,
|
| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.141g/mol |
| Monoisotopic Mass | 192.051g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number