| CAS Number | 1087788-47-3 |
| Catalog Number | AG01A8DC |
| Chemical Name | 2,2,2-trifluoroethyl N-[2-(trifluoromethyl)phenyl]carbamate |
| IUPAC Name | 2,2,2-trifluoroethyl N-[2-(trifluoromethyl)phenyl]carbamate |
| InChI | InChI=1S/C10H7F6NO2/c11-9(12,13)5-19-8(18)17-7-4-2-1-3-6(7)10(14,15)16/h1-4H,5H2,(H,17,18) |
| InChI Key | NXJLVORARAWDFM-UHFFFAOYSA-N |
| MDL Number | MFCD11099769 |
| Molecular Formula | C10H7F6NO2 |
| Molecular Weight | 287.1585 |
| SMILES | FC(COC(NC1=C(C(F)(F)F)C=CC=C1)=O)(F)F |
| Synonyms | 2,2,2-trifluoroethyl N-[2-(trifluoromethyl)phenyl]carbamate,
1087788-47-3,
AC1Q4K8S,
CTK7G7654,
ZINC32628727,
AKOS005875098,
MCULE-5402884213,
NE20278,
EN300-61365,
Z992717138,
|
| Complexity | 314 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.161g/mol |
| Monoisotopic Mass | 287.038g/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