| CAS Number | 1154595-78-4 |
| Catalog Number | AG019XC3(AGN-PC-0WO55X) |
| Chemical Name | 2,2,2-trifluoroethyl N-(1H-pyrazol-4-yl)carbamate |
| IUPAC Name | 2,2,2-trifluoroethyl N-(1H-pyrazol-4-yl)carbamate |
| InChI | InChI=1S/C6H6F3N3O2/c7-6(8,9)3-14-5(13)12-4-1-10-11-2-4/h1-2H,3H2,(H,10,11)(H,12,13) |
| InChI Key | OCPXUIQUCQWUSD-UHFFFAOYSA-N |
| MDL Number | MFCD12133902 |
| Molecular Formula | C6H6F3N3O2 |
| Molecular Weight | 209.1259 |
| SMILES | FC(COC(NC1=CNN=C1)=O)(F)F |
| Synonyms | 2,2,2-trifluoroethyl N-(1H-pyrazol-4-yl)carbamate,
1154595-78-4,
AC1Q4KAE,
CTK7G4331,
ZINC35764336,
AKOS009563130,
MCULE-7789552200,
NE59005,
EN300-54627,
Z823287394,
|
| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.128g/mol |
| Monoisotopic Mass | 209.041g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number