| CAS Number | 192805-87-1 |
| Catalog Number | AG01FBDX(AGN-PC-00G0AY) |
| Chemical Name | 2-Chloro-4-(trifluoromethyl)benzoic acid ethyl ester |
| IUPAC Name | ethyl 2-chloro-4-(trifluoromethyl)benzoate |
| InChI | InChI=1S/C10H8ClF3O2/c1-2-16-9(15)7-4-3-6(5-8(7)11)10(12,13)14/h3-5H,2H2,1H3 |
| InChI Key | YEJXRKIOCTUZFG-UHFFFAOYSA-N |
| MDL Number | MFCD12923258 |
| Molecular Formula | C10H8ClF3O2 |
| Molecular Weight | 252.6175 |
| SMILES | CCOC(=O)c1ccc(cc1Cl)C(F)(F)F |
| Synonyms | Ethyl 2-chloro-4-(trifluoromethyl)benzoate,
192805-87-1,
SCHEMBL6849228,
YEJXRKIOCTUZFG-UHFFFAOYSA-N,
AKOS024437552,
2-Chloro-4-(trifluoromethyl)benzoic acid ethyl ester,
Benzoic acid, 2-chloro-4-(trifluoromethyl)-, ethyl ester,
CID11780008,
|
| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.617g/mol |
| Monoisotopic Mass | 252.016g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number