| CAS Number | 1209532-72-8 |
| Catalog Number | AG019X0G |
| Chemical Name | 2,2,2-trifluoroethyl N-(pyridin-4-yl)carbamate |
| IUPAC Name | 2,2,2-trifluoroethyl N-pyridin-4-ylcarbamate |
| InChI | InChI=1S/C8H7F3N2O2/c9-8(10,11)5-15-7(14)13-6-1-3-12-4-2-6/h1-4H,5H2,(H,12,13,14) |
| InChI Key | QBKKWJBKQQNTFD-UHFFFAOYSA-N |
| MDL Number | MFCD13195927 |
| Molecular Formula | C8H7F3N2O2 |
| Molecular Weight | 220.1486 |
| SMILES | FC(COC(NC1=CC=NC=C1)=O)(F)F |
| Synonyms | 2,2,2-trifluoroethyl N-(pyridin-4-yl)carbamate,
1209532-72-8,
AC1Q4KA4,
CTK7G8137,
ZINC38342213,
AKOS010565166,
MCULE-7864272016,
NE36528,
EN300-53697,
Z839028522,
|
| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.151g/mol |
| Monoisotopic Mass | 220.046g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number