| CAS Number | 1235439-39-0 |
| Catalog Number | AG019XJX |
| Chemical Name | 2,2,2-trifluoroethyl N-(2-chloro-4-nitrophenyl)carbamate |
| IUPAC Name | 2,2,2-trifluoroethyl N-(2-chloro-4-nitrophenyl)carbamate |
| InChI | InChI=1S/C9H6ClF3N2O4/c10-6-3-5(15(17)18)1-2-7(6)14-8(16)19-4-9(11,12)13/h1-3H,4H2,(H,14,16) |
| InChI Key | OYRSBPWZLVBSIW-UHFFFAOYSA-N |
| MDL Number | MFCD16039985 |
| Molecular Formula | C9H6ClF3N2O4 |
| Molecular Weight | 298.6031 |
| SMILES | [O-][N+](C1=CC(Cl)=C(NC(OCC(F)(F)F)=O)C=C1)=O |
| Synonyms | 2,2,2-trifluoroethyl N-(2-chloro-4-nitrophenyl)carbamate,
1235439-39-0,
AC1Q1XC3,
ZINC47841559,
AKOS010823375,
MCULE-4052723853,
NE26941,
EN300-55212,
Z992716844,
|
| Complexity | 347 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 297.997g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.602g/mol |
| Monoisotopic Mass | 297.997g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 84.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number