| CAS Number | 1260670-70-9 |
| Catalog Number | AG01A61Z |
| Chemical Name | 5-(trifluoromethyl)thiophene-2-carbonitrile |
| IUPAC Name | 5-(trifluoromethyl)thiophene-2-carbonitrile |
| InChI | InChI=1S/C6H2F3NS/c7-6(8,9)5-2-1-4(3-10)11-5/h1-2H |
| InChI Key | AMQFMQSJBQPVCM-UHFFFAOYSA-N |
| MDL Number | MFCD18250217 |
| Molecular Formula | C6H2F3NS |
| Molecular Weight | 177.1470 |
| SMILES | FC(C1SC(C#N)=CC=1)(F)F |
| Synonyms | 5-(TRIFLUOROMETHYL)THIOPHENE-2-CARBONITRILE,
1260670-70-9,
SCHEMBL19439590,
ZINC83272604,
AKOS022969235,
AB72558,
|
| 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 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number