| CAS Number | 877977-19-0 |
| Catalog Number | AG019OYX |
| Chemical Name | 2,2,2-trifluoroethyl N-(4-fluorophenyl)carbamate |
| IUPAC Name | 2,2,2-trifluoroethyl N-(4-fluorophenyl)carbamate |
| InChI | InChI=1S/C9H7F4NO2/c10-6-1-3-7(4-2-6)14-8(15)16-5-9(11,12)13/h1-4H,5H2,(H,14,15) |
| InChI Key | USGDKDSLXCJNIS-UHFFFAOYSA-N |
| MDL Number | MFCD01013363 |
| Molecular Formula | C9H7F4NO2 |
| Molecular Weight | 237.1510 |
| SMILES | FC1=CC=C(NC(OCC(F)(F)F)=O)C=C1 |
| Synonyms | 2,2,2-trifluoroethyl N-(4-fluorophenyl)carbamate,
877977-19-0,
2,2,2-trifluoroethyl 4-fluorophenylcarbamate,
AC1PKYU6,
AC1Q4MNY,
CTK7G5621,
ZINC7989006,
AKOS008961330,
MCULE-6553317996,
NE11763,
EN300-16346,
Z55292538,
ZINC07989006,
CID9118368,
|
| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.154g/mol |
| Monoisotopic Mass | 237.041g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number