| CAS Number | 1795502-95-2 |
| Catalog Number | AG01AOTF(AGN-PC-0WBEXG) |
| Chemical Name | 4-nitro-3-(2,2,2-trifluoroethoxy)-1H-pyrazole |
| IUPAC Name | 4-nitro-5-(2,2,2-trifluoroethoxy)-1H-pyrazole |
| InChI | InChI=1S/C5H4F3N3O3/c6-5(7,8)2-14-4-3(11(12)13)1-9-10-4/h1H,2H2,(H,9,10) |
| InChI Key | SQBQEISGQOXJMX-UHFFFAOYSA-N |
| MDL Number | MFCD28962815 |
| Molecular Formula | C5H4F3N3O3 |
| Molecular Weight | 211.0988 |
| SMILES | [O-][N+](C1C(OCC(F)(F)F)=NNC=1)=O |
| Synonyms | 4-nitro-3-(2,2,2-trifluoroethoxy)-1H-pyrazole,
1795502-95-2,
SCHEMBL20516259,
STL415349,
ZINC96029580,
AKOS025255483,
MCULE-3851498892,
EN300-233066,
4-Nitro-3-(2,2,2-trifluoro-ethoxy)-1H-pyrazole,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.1g/mol |
| Monoisotopic Mass | 211.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 83.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number