| CAS Number | 1235438-73-9 |
| Catalog Number | AG019XJV |
| Chemical Name | 2,2,2-trifluoroethyl N-[6-(2-methoxyethoxy)pyridin-3-yl]carbamate |
| IUPAC Name | 2,2,2-trifluoroethyl N-[6-(2-methoxyethoxy)pyridin-3-yl]carbamate |
| InChI | InChI=1S/C11H13F3N2O4/c1-18-4-5-19-9-3-2-8(6-15-9)16-10(17)20-7-11(12,13)14/h2-3,6H,4-5,7H2,1H3,(H,16,17) |
| InChI Key | QMZGZVYIQWCCSU-UHFFFAOYSA-N |
| MDL Number | MFCD16039984 |
| Molecular Formula | C11H13F3N2O4 |
| Molecular Weight | 294.2271 |
| SMILES | COCCOC1=NC=C(NC(OCC(F)(F)F)=O)C=C1 |
| Synonyms | 2,2,2-trifluoroethyl N-[6-(2-methoxyethoxy)pyridin-3-yl]carbamate,
1235438-73-9,
AC1Q4GC1,
ZINC47841556,
AKOS010823338,
MCULE-1145673569,
NE53098,
EN300-55209,
Z992716820,
|
| Complexity | 302 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 294.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.23g/mol |
| Monoisotopic Mass | 294.083g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 69.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number