| CAS Number | 1251924-67-0 |
| Catalog Number | AG01AA4L |
| Chemical Name | 2-[2-(2,2,2-Trifluoroethoxy)phenoxy]acetic acid |
| IUPAC Name | 2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetic acid |
| InChI | InChI=1S/C10H9F3O4/c11-10(12,13)6-17-8-4-2-1-3-7(8)16-5-9(14)15/h1-4H,5-6H2,(H,14,15) |
| InChI Key | NIZSYZSAZKLYJR-UHFFFAOYSA-N |
| MDL Number | MFCD16817566 |
| Molecular Formula | C10H9F3O4 |
| Molecular Weight | 250.1713 |
| SMILES | OC(COC1=C(OCC(F)(F)F)C=CC=C1)=O |
| Synonyms | 2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetic acid,
1251924-67-0,
AC1Q764V,
SCHEMBL12840659,
ZINC57218550,
AKOS033141000,
MCULE-4046920367,
NE33194,
EN300-67061,
Z1178484492,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.173g/mol |
| Monoisotopic Mass | 250.045g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number