| CAS Number | 1695226-01-7 |
| Catalog Number | AG01BCZR |
| Chemical Name | 2,2,2-trifluoroethyl N-(5-methylpyridin-3-yl)carbamate |
| IUPAC Name | 2,2,2-trifluoroethyl N-(5-methylpyridin-3-yl)carbamate |
| InChI | InChI=1S/C9H9F3N2O2/c1-6-2-7(4-13-3-6)14-8(15)16-5-9(10,11)12/h2-4H,5H2,1H3,(H,14,15) |
| InChI Key | MNEUWWQXBRUVTA-UHFFFAOYSA-N |
| MDL Number | MFCD28012359 |
| Molecular Formula | C9H9F3N2O2 |
| Molecular Weight | 234.1752 |
| SMILES | CC1=CC(NC(OCC(F)(F)F)=O)=CN=C1 |
| Synonyms | 2,2,2-trifluoroethyl N-(5-methylpyridin-3-yl)carbamate,
1695226-01-7,
ZINC96300633,
NE59432,
|
| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.178g/mol |
| Monoisotopic Mass | 234.062g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number