| CAS Number | 1087788-92-8 |
| Catalog Number | AG019QV5 |
| Chemical Name | 2,2,2-trifluoroethyl N-(3-ethylphenyl)carbamate |
| IUPAC Name | 2,2,2-trifluoroethyl N-(3-ethylphenyl)carbamate |
| InChI | InChI=1S/C11H12F3NO2/c1-2-8-4-3-5-9(6-8)15-10(16)17-7-11(12,13)14/h3-6H,2,7H2,1H3,(H,15,16) |
| InChI Key | GEWWIICQBNNBIK-UHFFFAOYSA-N |
| MDL Number | MFCD11099859 |
| Molecular Formula | C11H12F3NO2 |
| Molecular Weight | 247.2137 |
| SMILES | CCC1=CC(NC(OCC(F)(F)F)=O)=CC=C1 |
| Synonyms | 2,2,2-trifluoroethyl N-(3-ethylphenyl)carbamate,
2,2,2-trifluoroethyl 3-ethylphenylcarbamate,
1087788-92-8,
AC1Q2TCE,
CTK6D2003,
ZINC32628881,
AKOS009101869,
NE57726,
EN300-88431,
|
| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.217g/mol |
| Monoisotopic Mass | 247.082g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
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Certificate of Analysis
Lot Number