| CAS Number | 116419-96-6 |
| Catalog Number | AG01F9PY(AGN-PC-0NYZRJ) |
| Chemical Name | Methyl 5-trifluoromethylthiophene-2-carboxylate |
| IUPAC Name | methyl 5-(trifluoromethyl)thiophene-2-carboxylate |
| InChI | InChI=1S/C7H5F3O2S/c1-12-6(11)4-2-3-5(13-4)7(8,9)10/h2-3H,1H3 |
| InChI Key | KMGATTBDJVDZLC-UHFFFAOYSA-N |
| MDL Number | MFCD28126789 |
| Molecular Formula | C7H5F3O2S |
| Molecular Weight | 210.1736 |
| SMILES | COC(=O)c1ccc(s1)C(F)(F)F |
| Synonyms | 116419-96-6,
Methyl 5-trifluoromethylthiophene-2-carboxylate,
methyl 5-(trifluoromethyl)thiophene-2-carboxylate,
ZINC98214277,
AKOS026671520,
|
| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.17g/mol |
| Monoisotopic Mass | 209.996g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number