| CAS Number | 767337-58-6 |
| Catalog Number | AG0032VX(AGN-PC-0I0BP3) |
| Chemical Name | 2-(trifluoroMethyl)thiophene-3-carboxylicacid |
| IUPAC Name | 2-(trifluoromethyl)thiophene-3-carboxylic acid |
| InChI | InChI=1S/C6H3F3O2S/c7-6(8,9)4-3(5(10)11)1-2-12-4/h1-2H,(H,10,11) |
| InChI Key | YPFJKHXREWOWKC-UHFFFAOYSA-N |
| MDL Number | MFCD20657879 |
| Molecular Formula | C6H3F3O2S |
| Molecular Weight | 196.1470 |
| SMILES | FC(C=1SC=CC1C(=O)O)(F)F |
| Synonyms | 767337-58-6,
2-(trifluoromethyl)thiophene-3-carboxylic acid,
2-(trifluoromethyl)thiophene-3-carboxylicacid,
3-Thiophenecarboxylic acid, 2-(trifluoromethyl)-,
SCHEMBL3345343,
MFCD20657879,
ZINC96900113,
AKOS025117594,
TRA0060548,
KS-00000282,
2-(Trifluoromethyl)-3-thiophenecarboxylic acid,
Z2678251569,
2-Trifluoromethyl-thiophene-3-carboxylic acid,
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| 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 |
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Certificate of Analysis
Lot Number