| CAS Number | 162922-18-1 |
| Catalog Number | AG019MG5(AGN-PC-015QK7) |
| Chemical Name | 2-[2-(trifluoromethyl)phenoxy]acetic acid |
| IUPAC Name | 2-[2-(trifluoromethyl)phenoxy]acetic acid |
| InChI | InChI=1S/C9H7F3O3/c10-9(11,12)6-3-1-2-4-7(6)15-5-8(13)14/h1-4H,5H2,(H,13,14) |
| InChI Key | NRFIBTALDRVYLS-UHFFFAOYSA-N |
| MDL Number | MFCD06409075 |
| Molecular Formula | C9H7F3O3 |
| Molecular Weight | 220.1453 |
| SMILES | O=C(O)COC1=CC=CC=C1C(F)(F)F |
| Synonyms | 162922-18-1,
2-[2-(trifluoromethyl)phenoxy]acetic acid,
[2-(trifluoromethyl)phenoxy]acetic acid,
Acetic acid, 2-[2-(trifluoromethyl)phenoxy]-,
SCHEMBL1577431,
CTK8F2430,
NRFIBTALDRVYLS-UHFFFAOYSA-N,
2-trifluoromethylphenoxyacetic acid,
AC1Q7648,
ZINC20283250,
AKOS000125663,
(2-Trifluoromethylphenoxy)-acetic acid,
MCULE-5883902994,
NE49498,
(2-trifluoromethyl-phenoxy)-acetic acid,
2-[2-(trifluoromethyl)phenyloxy]acetic acid,
EN300-36088,
A1-03881,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.147g/mol |
| Monoisotopic Mass | 220.035g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number