| CAS Number | 1087788-81-5 |
| Catalog Number | AG019QTP |
| Chemical Name | 2,2,2-Trifluoroethyl mesitylcarbamate |
| IUPAC Name | 2,2,2-trifluoroethyl N-(2,4,6-trimethylphenyl)carbamate |
| InChI | InChI=1S/C12H14F3NO2/c1-7-4-8(2)10(9(3)5-7)16-11(17)18-6-12(13,14)15/h4-5H,6H2,1-3H3,(H,16,17) |
| InChI Key | BAXPBBVKZUIZRF-UHFFFAOYSA-N |
| MDL Number | MFCD11099837 |
| Molecular Formula | C12H14F3NO2 |
| Molecular Weight | 261.2403 |
| SMILES | CC1=CC(C)=C(NC(OCC(F)(F)F)=O)C(C)=C1 |
| Synonyms | 2,2,2-trifluoroethyl mesitylcarbamate,
2,2,2-trifluoroethyl N-(2,4,6-trimethylphenyl)carbamate,
1087788-81-5,
AC1Q2I6T,
CTK7G4272,
ZINC32628844,
AKOS009102288,
EN300-88309,
|
| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.244g/mol |
| Monoisotopic Mass | 261.098g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number