| CAS Number | 1260671-29-1 |
| Catalog Number | AG01B4VL(AGN-PC-0WOLSV) |
| Chemical Name | 5-(Trifluoromethyl)thiophene-3-carboxylic acid |
| IUPAC Name | 5-(trifluoromethyl)thiophene-3-carboxylic acid |
| InChI | InChI=1S/C6H3F3O2S/c7-6(8,9)4-1-3(2-12-4)5(10)11/h1-2H,(H,10,11) |
| InChI Key | QUSPHKDGEXJFMJ-UHFFFAOYSA-N |
| MDL Number | MFCD18250229 |
| Molecular Formula | C6H3F3O2S |
| Molecular Weight | 196.1470 |
| SMILES | OC(C1C=C(C(F)(F)F)SC=1)=O |
| Synonyms | 5-(TRIFLUOROMETHYL)THIOPHENE-3-CARBOXYLIC ACID,
1260671-29-1,
ZINC71792959,
AKOS016347328,
AB72583,
SC-53930,
5-(Trifluoromethyl)-3-thiophenecarboxylic Acid,
Z2678251266,
|
| 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