| CAS Number | 1504300-33-7 |
| Catalog Number | AG01EKSO |
| Chemical Name | 2-[4-(trifluoromethyl)furan-2-yl]acetic acid |
| IUPAC Name | 2-[4-(trifluoromethyl)furan-2-yl]acetic acid |
| InChI | InChI=1S/C7H5F3O3/c8-7(9,10)4-1-5(13-3-4)2-6(11)12/h1,3H,2H2,(H,11,12) |
| InChI Key | XPYNEPITPZHMKW-UHFFFAOYSA-N |
| MDL Number | MFCD31559600 |
| Molecular Formula | C7H5F3O3 |
| Molecular Weight | 194.108 |
| SMILES | OC(CC1OC=C(C(F)(F)F)C=1)=O |
| Synonyms | 2-[4-(trifluoromethyl)furan-2-yl]acetic acid,
1504300-33-7,
AKOS022916894,
|
| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.109g/mol |
| Monoisotopic Mass | 194.019g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number