| CAS Number | 1087798-23-9 |
| Catalog Number | AG019QTX |
| Chemical Name | 2,2,2-trifluoroethyl N-(4-acetamidophenyl)carbamate |
| IUPAC Name | 2,2,2-trifluoroethyl N-(4-acetamidophenyl)carbamate |
| InChI | InChI=1S/C11H11F3N2O3/c1-7(17)15-8-2-4-9(5-3-8)16-10(18)19-6-11(12,13)14/h2-5H,6H2,1H3,(H,15,17)(H,16,18) |
| InChI Key | UMLPYVVDFWAAOR-UHFFFAOYSA-N |
| MDL Number | MFCD11099846 |
| Molecular Formula | C11H11F3N2O3 |
| Molecular Weight | 276.2118 |
| SMILES | CC(NC1=CC=C(NC(OCC(F)(F)F)=O)C=C1)=O |
| Synonyms | 2,2,2-trifluoroethyl N-(4-acetamidophenyl)carbamate,
2,2,2-trifluoroethyl 4-(acetylamino)phenylcarbamate,
1087798-23-9,
AC1Q1KXZ,
CTK7G5828,
ZINC32628858,
AKOS009101900,
NE59391,
EN300-88317,
|
| Complexity | 326 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.215g/mol |
| Monoisotopic Mass | 276.072g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number