| CAS Number | 1087788-62-2 |
| Catalog Number | AG019QSQ |
| Chemical Name | 2,2,2-Trifluoroethyl 2-ethyl-6-methylphenylcarbamate |
| IUPAC Name | 2,2,2-trifluoroethyl N-(2-ethyl-6-methylphenyl)carbamate |
| InChI | InChI=1S/C12H14F3NO2/c1-3-9-6-4-5-8(2)10(9)16-11(17)18-7-12(13,14)15/h4-6H,3,7H2,1-2H3,(H,16,17) |
| InChI Key | JWUFCAIACIVLMB-UHFFFAOYSA-N |
| MDL Number | MFCD11099799 |
| Molecular Formula | C12H14F3NO2 |
| Molecular Weight | 261.2403 |
| SMILES | CCC1=C(NC(OCC(F)(F)F)=O)C(C)=CC=C1 |
| Synonyms | 2,2,2-trifluoroethyl N-(2-ethyl-6-methylphenyl)carbamate,
1087788-62-2,
2,2,2-trifluoroethyl 2-ethyl-6-methylphenylcarbamate,
AC1Q2T40,
CTK6D2129,
ZINC32628776,
AKOS005875053,
MCULE-1884797630,
NE62229,
EN300-88273,
Z1723814597,
|
| Complexity | 281 |
| 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 | 4 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number