| CAS Number | 767337-60-0 |
| Catalog Number | AG01B7FM(AGN-PC-0C1VOW) |
| Chemical Name | 4-(trifluoromethyl)thiophene-3-carboxylic acid |
| IUPAC Name | 4-(trifluoromethyl)thiophene-3-carboxylic acid |
| InChI | InChI=1S/C6H3F3O2S/c7-6(8,9)4-2-12-1-3(4)5(10)11/h1-2H,(H,10,11) |
| InChI Key | VSTOPVQRSBFSLL-UHFFFAOYSA-N |
| MDL Number | MFCD20641943 |
| Molecular Formula | C6H3F3O2S |
| Molecular Weight | 196.1470 |
| SMILES | OC(C1C(C(F)(F)F)=CSC=1)=O |
| Synonyms | 4-(trifluoromethyl)thiophene-3-carboxylic acid,
767337-60-0,
SCHEMBL3912277,
SCHEMBL5525782,
VSTOPVQRSBFSLL-UHFFFAOYSA-N,
AKOS033960603,
ZINC166233541,
3-trifluoromethyl-1H-thiophene-4-carboxylic acid,
Z2630877842,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.981g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.143g/mol |
| Monoisotopic Mass | 195.981g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number