| CAS Number | 1437794-81-4 |
| Catalog Number | AG00AQJF(AGN-PC-0WO9YY) |
| Chemical Name | 2-Fluoro-3-(trifluoromethoxy)phenyl acetate |
| IUPAC Name | [2-fluoro-3-(trifluoromethoxy)phenyl] acetate |
| InChI | InChI=1S/C9H6F4O3/c1-5(14)15-6-3-2-4-7(8(6)10)16-9(11,12)13/h2-4H,1H3 |
| InChI Key | VONKDBFQWGSSQG-UHFFFAOYSA-N |
| MDL Number | MFCD24448802 |
| Molecular Formula | C9H6F4O3 |
| Molecular Weight | 238.1358 |
| SMILES | CC(=O)Oc1cccc(c1F)OC(F)(F)F |
| Synonyms | 2-Fluoro-3-(trifluoromethoxy)phenyl acetate,
1437794-81-4,
ZINC95495762,
V3296,
C9H6F4O3,
[2-fluoro-3-(trifluoromethoxy)phenyl] acetate,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.025307g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.14g/mol |
| Monoisotopic Mass | 238.025307g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number