| CAS Number | 1087798-17-1 |
| Catalog Number | AG019QTM |
| Chemical Name | 2,2,2-Trifluoroethyl 2,6-diethylphenylcarbamate |
| IUPAC Name | 2,2,2-trifluoroethyl N-(2,6-diethylphenyl)carbamate |
| InChI | InChI=1S/C13H16F3NO2/c1-3-9-6-5-7-10(4-2)11(9)17-12(18)19-8-13(14,15)16/h5-7H,3-4,8H2,1-2H3,(H,17,18) |
| InChI Key | VFGCFMJWJULUED-UHFFFAOYSA-N |
| MDL Number | MFCD11099833 |
| Molecular Formula | C13H16F3NO2 |
| Molecular Weight | 275.2668 |
| SMILES | CCC1=C(NC(OCC(F)(F)F)=O)C(CC)=CC=C1 |
| Synonyms | 2,2,2-trifluoroethyl N-(2,6-diethylphenyl)carbamate,
2,2,2-trifluoroethyl 2,6-diethylphenylcarbamate,
1087798-17-1,
AC1Q2TVI,
CTK6D2130,
ZINC32628838,
AKOS005875054,
NE56467,
EN300-88306,
|
| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.113g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.271g/mol |
| Monoisotopic Mass | 275.113g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number