| CAS Number | 885950-82-3 |
| Catalog Number | AG00IF89 |
| Chemical Name | 2-(2-Thienyl)-2-[4-(Trifluoromethyl)Phenyl]Acetic Acid |
| IUPAC Name | 2-thiophen-2-yl-2-[4-(trifluoromethyl)phenyl]acetic acid |
| InChI | InChI=1S/C13H9F3O2S/c14-13(15,16)9-5-3-8(4-6-9)11(12(17)18)10-2-1-7-19-10/h1-7,11H,(H,17,18) |
| InChI Key | PGLWXILEHVBBGX-UHFFFAOYSA-N |
| MDL Number | MFCD01631969 |
| Molecular Formula | C13H9F3O2S |
| Molecular Weight | 286.2696 |
| SMILES | OC(=O)C(C1=CC=CS1)C1=CC=C(C=C1)C(F)(F)F |
| Synonyms | 2-(2-Thienyl)-2-[4-(Trifluoromethyl)Phenyl]Acetic Acid,
885950-82-3,
2-(Thiophen-2-yl)-2-(4-(trifluoromethyl)phenyl)acetic acid,
AC1MSGBT,
AC1Q71NQ,
CTK7I4311,
TPD-Q07-0,
2-thiophen-2-yl-2-[4-(trifluoromethyl)phenyl]acetic Acid,
AR3911,
MFCD01631969,
AS-45711,
X-2628,
CID3558837,
|
| Complexity | 324 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.268g/mol |
| Monoisotopic Mass | 286.028g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number