| CAS Number | 87964-30-5 |
| Catalog Number | AG019O6E(AGN-PC-0LK8WI) |
| Chemical Name | 2-[3,5-bis(trifluoromethyl)phenoxy]acetic acid |
| IUPAC Name | 2-[3,5-bis(trifluoromethyl)phenoxy]acetic acid |
| InChI | InChI=1S/C10H6F6O3/c11-9(12,13)5-1-6(10(14,15)16)3-7(2-5)19-4-8(17)18/h1-3H,4H2,(H,17,18) |
| InChI Key | LAICZTCYXNZHMU-UHFFFAOYSA-N |
| MDL Number | MFCD06655560 |
| Molecular Formula | C10H6F6O3 |
| Molecular Weight | 288.1433 |
| SMILES | OC(COC1C=C(C(F)(F)F)C=C(C(F)(F)F)C=1)=O |
| Synonyms | 2-[3,5-bis(trifluoromethyl)phenoxy]acetic Acid,
[3,5-bis(trifluoromethyl)phenoxy]acetic acid,
87964-30-5,
AC1NLQ5L,
SCHEMBL2113930,
LAICZTCYXNZHMU-UHFFFAOYSA-N,
HMS1749C10,
AC1Q7653,
ZINC4205971,
AKOS008972509,
MCULE-4333569282,
NE33676,
EN300-12911,
Z66481203,
CID4962125,
|
| Complexity | 302 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.145g/mol |
| Monoisotopic Mass | 288.022g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number