| CAS Number | 1367866-60-1 |
| Catalog Number | AG01DSWZ(AGN-PC-0BQIH8) |
| Chemical Name | 4-(TRIFLUOROMETHYL)THIOPHENE-2-CARBALDEHYDE |
| IUPAC Name | 4-(trifluoromethyl)thiophene-2-carbaldehyde |
| InChI | InChI=1S/C6H3F3OS/c7-6(8,9)4-1-5(2-10)11-3-4/h1-3H |
| InChI Key | BRJDFNMABHVXNZ-UHFFFAOYSA-N |
| MDL Number | MFCD22065271 |
| Molecular Formula | C6H3F3OS |
| Molecular Weight | 180.1476 |
| SMILES | FC(C1C=C(C=O)SC=1)(F)F |
| Synonyms | 4-(trifluoromethyl)thiophene-2-carbaldehyde,
1367866-60-1,
SCHEMBL7476250,
|
| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.986g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.144g/mol |
| Monoisotopic Mass | 179.986g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number