| CAS Number | 773134-92-2 |
| Catalog Number | AG01FC50(AGN-PC-3H49L7) |
| Chemical Name | Ethyl 2-fluoro-3-(trifluoromethyl)benzoate |
| IUPAC Name | ethyl 2-fluoro-3-(trifluoromethyl)benzoate |
| InChI | InChI=1S/C10H8F4O2/c1-2-16-9(15)6-4-3-5-7(8(6)11)10(12,13)14/h3-5H,2H2,1H3 |
| InChI Key | BEBIBPVEZYVTSW-UHFFFAOYSA-N |
| MDL Number | MFCD06204409 |
| Molecular Formula | C10H8F4O2 |
| Molecular Weight | 236.1629 |
| SMILES | c1(cccc(c1F)C(=O)OCC)C(F)(F)F |
| Synonyms | 773134-92-2,
ETHYL 2-FLUORO-3-(TRIFLUOROMETHYL)BENZOATE,
Ethyl 2-fluoro-3-trifluoromethylbenzoate,
BEBIBPVEZYVTSW-UHFFFAOYSA-N,
ZINC44200367,
AKOS017559891,
SC-42457,
FT-0734341,
2-Fluoro-3-trifluoromethylbenzoic acid, ethyl ester,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.166g/mol |
| Monoisotopic Mass | 236.046g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number