| CAS Number | 1248311-33-2 |
| Catalog Number | AG01A19Z |
| Chemical Name | 2-[3-(2,2,2-Trifluoroethoxy)phenyl]acetic acid |
| IUPAC Name | 2-[3-(2,2,2-trifluoroethoxy)phenyl]acetic acid |
| InChI | InChI=1S/C10H9F3O3/c11-10(12,13)6-16-8-3-1-2-7(4-8)5-9(14)15/h1-4H,5-6H2,(H,14,15) |
| InChI Key | NCJHCUKPPQDYCF-UHFFFAOYSA-N |
| MDL Number | MFCD14658989 |
| Molecular Formula | C10H9F3O3 |
| Molecular Weight | 234.1719 |
| SMILES | OC(CC1=CC(OCC(F)(F)F)=CC=C1)=O |
| Synonyms | 2-[3-(2,2,2-trifluoroethoxy)phenyl]acetic acid,
1248311-33-2,
SCHEMBL14987264,
ZINC42417272,
AKOS010658081,
MCULE-3499330906,
NE17685,
[3-(2,2,2-Trifluoro-ethoxy)-phenyl]-acetic acid,
A1-01654,
Z1474025944,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.174g/mol |
| Monoisotopic Mass | 234.05g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number