| CAS Number | 923237-78-9 |
| Catalog Number | AG019OZ2 |
| Chemical Name | 2,2,2-trifluoroethyl N-(2-methoxyphenyl)carbamate |
| IUPAC Name | 2,2,2-trifluoroethyl N-(2-methoxyphenyl)carbamate |
| InChI | InChI=1S/C10H10F3NO3/c1-16-8-5-3-2-4-7(8)14-9(15)17-6-10(11,12)13/h2-5H,6H2,1H3,(H,14,15) |
| InChI Key | BUJPILRLKDZPEJ-UHFFFAOYSA-N |
| MDL Number | MFCD08691078 |
| Molecular Formula | C10H10F3NO3 |
| Molecular Weight | 249.1865 |
| SMILES | COC1=C(NC(OCC(F)(F)F)=O)C=CC=C1 |
| Synonyms | 2,2,2-trifluoroethyl N-(2-methoxyphenyl)carbamate,
923237-78-9,
Z55292552,
2,2,2-trifluoroethyl 2-methoxyphenylcarbamate,
CTK7B1490,
AC1Q4648,
ZINC9256642,
AKOS000118145,
MCULE-2317059450,
NE60937,
EN300-16352,
|
| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.189g/mol |
| Monoisotopic Mass | 249.061g/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