| CAS Number | 1469043-37-5 |
| Catalog Number | AG01EJTY |
| Chemical Name | 4-(trifluoromethyl)thiophene-3-carbonitrile |
| IUPAC Name | 4-(trifluoromethyl)thiophene-3-carbonitrile |
| InChI | InChI=1S/C6H2F3NS/c7-6(8,9)5-3-11-2-4(5)1-10/h2-3H |
| InChI Key | RIXLXSRSDBGLDC-UHFFFAOYSA-N |
| MDL Number | MFCD21097258 |
| Molecular Formula | C6H2F3NS |
| Molecular Weight | 177.147 |
| SMILES | FC(C1C(C#N)=CSC=1)(F)F |
| Synonyms | AKOS022708996,
4-(trifluoromethyl)thiophene-3-carbonitrile,
1469043-37-5,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.986g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.144g/mol |
| Monoisotopic Mass | 176.986g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 52A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number