| CAS Number | 1087798-06-8 |
| Catalog Number | AG019QT4 |
| Chemical Name | 2,2,2-trifluoroethyl N-(4-bromo-2-fluorophenyl)carbamate |
| IUPAC Name | 2,2,2-trifluoroethyl N-(4-bromo-2-fluorophenyl)carbamate |
| InChI | InChI=1S/C9H6BrF4NO2/c10-5-1-2-7(6(11)3-5)15-8(16)17-4-9(12,13)14/h1-3H,4H2,(H,15,16) |
| InChI Key | METFRHCSNBLIEH-UHFFFAOYSA-N |
| MDL Number | MFCD11099812 |
| Molecular Formula | C9H6BrF4NO2 |
| Molecular Weight | 316.0471 |
| SMILES | FC1=C(NC(OCC(F)(F)F)=O)C=CC(Br)=C1 |
| Synonyms | 2,2,2-trifluoroethyl N-(4-bromo-2-fluorophenyl)carbamate,
1087798-06-8,
2,2,2-trifluoroethyl 4-bromo-2-fluorophenylcarbamate,
AC1Q4LH3,
CTK7G6311,
ZINC32628800,
AKOS009101717,
MCULE-3375399820,
NE57401,
EN300-88287,
Z1713582947,
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 314.952g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 316.05g/mol |
| Monoisotopic Mass | 314.952g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number