| CAS Number | 1087798-09-1 |
| Catalog Number | AG019WU0 |
| Chemical Name | 2,2,2-trifluoroethyl N-(2-chlorophenyl)carbamate |
| IUPAC Name | 2,2,2-trifluoroethyl N-(2-chlorophenyl)carbamate |
| InChI | InChI=1S/C9H7ClF3NO2/c10-6-3-1-2-4-7(6)14-8(15)16-5-9(11,12)13/h1-4H,5H2,(H,14,15) |
| InChI Key | GUFDGCRYPXVYEI-UHFFFAOYSA-N |
| MDL Number | MFCD01013364 |
| Molecular Formula | C9H7ClF3NO2 |
| Molecular Weight | 253.6056 |
| SMILES | FC(COC(NC1=C(Cl)C=CC=C1)=O)(F)F |
| Synonyms | 2,2,2-trifluoroethyl N-(2-chlorophenyl)carbamate,
1087798-09-1,
AC1Q4K91,
CTK7G7752,
ZINC32628810,
AKOS008961350,
MCULE-3896474074,
NE11764,
EN300-53145,
Z55292555,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.605g/mol |
| Monoisotopic Mass | 253.012g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number