| CAS Number | 1256470-41-3 |
| Catalog Number | AG01FCLI(AGN-PC-00AHRG) |
| Chemical Name | Ethyl 2-(2,4,5-trifluorophenyl)acetate |
| IUPAC Name | ethyl 2-(2,4,5-trifluorophenyl)acetate |
| InChI | InChI=1S/C10H9F3O2/c1-2-15-10(14)4-6-3-8(12)9(13)5-7(6)11/h3,5H,2,4H2,1H3 |
| InChI Key | BYCOSMGZZNULDT-UHFFFAOYSA-N |
| MDL Number | MFCD11555117 |
| Molecular Formula | C10H9F3O2 |
| Molecular Weight | 218.1725 |
| SMILES | CCOC(=O)CC1=CC(=C(C=C1F)F)F |
| Synonyms | Ethyl 2-(2,4,5-trifluorophenyl)acetate,
1256470-41-3,
SCHEMBL15490071,
ZINC43503696,
AKOS026671770,
ethyl-2-(2,4,5-trifluorophenyl)acetate,
(2,4,5-Trifluorophenyl)acetic acid ethyl ester,
CID11506785,
|
| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.175g/mol |
| Monoisotopic Mass | 218.055g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number