| CAS Number | 1087788-53-1 |
| Catalog Number | AG019QS8 |
| Chemical Name | 2,2,2-trifluoroethyl N-(2-methoxy-5-methylphenyl)carbamate |
| IUPAC Name | 2,2,2-trifluoroethyl N-(2-methoxy-5-methylphenyl)carbamate |
| InChI | InChI=1S/C11H12F3NO3/c1-7-3-4-9(17-2)8(5-7)15-10(16)18-6-11(12,13)14/h3-5H,6H2,1-2H3,(H,15,16) |
| InChI Key | PKKPVQOGJSJTEO-UHFFFAOYSA-N |
| MDL Number | MFCD11099780 |
| Molecular Formula | C11H12F3NO3 |
| Molecular Weight | 263.2131 |
| SMILES | COC1=C(NC(OCC(F)(F)F)=O)C=C(C)C=C1 |
| Synonyms | 2,2,2-trifluoroethyl N-(2-methoxy-5-methylphenyl)carbamate,
1087788-53-1,
2,2,2-trifluoroethyl 2-methoxy-5-methylphenylcarbamate,
EN300-88255,
CTK7A6999,
AC1Q4644,
ZINC32628746,
AKOS009102014,
IMED381623511,
MCULE-7669811822,
Z938805122,
|
| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.216g/mol |
| Monoisotopic Mass | 263.077g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 47.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number