| CAS Number | 1087788-54-2 |
| Catalog Number | AG019QSA |
| Chemical Name | 2,2,2-Trifluoroethyl 3-(trifluoromethoxy)phenylcarbamate |
| IUPAC Name | 2,2,2-trifluoroethyl N-[3-(trifluoromethoxy)phenyl]carbamate |
| InChI | InChI=1S/C10H7F6NO3/c11-9(12,13)5-19-8(18)17-6-2-1-3-7(4-6)20-10(14,15)16/h1-4H,5H2,(H,17,18) |
| InChI Key | ZYQXJZVUKTXCLH-UHFFFAOYSA-N |
| MDL Number | MFCD11099782 |
| Molecular Formula | C10H7F6NO3 |
| Molecular Weight | 303.1579 |
| SMILES | FC(COC(NC1=CC(OC(F)(F)F)=CC=C1)=O)(F)F |
| Synonyms | 2,2,2-trifluoroethyl N-[3-(trifluoromethoxy)phenyl]carbamate,
1087788-54-2,
2,2,2-trifluoroethyl 3-(trifluoromethoxy)phenylcarbamate,
AC1Q4K9S,
CTK7G7110,
ZINC32628749,
AKOS009317539,
MCULE-6114876476,
NE60945,
EN300-88257,
Z1723814588,
|
| Complexity | 330 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.16g/mol |
| Monoisotopic Mass | 303.033g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 47.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number