| CAS Number | 901767-00-8 |
| Catalog Number | AG01BE2M(AGN-PC-0WOV23) |
| Chemical Name | 5-(Trifluoromethyl)thiophene-2-carbaldehyde |
| IUPAC Name | 5-(trifluoromethyl)thiophene-2-carbaldehyde |
| InChI | InChI=1S/C6H3F3OS/c7-6(8,9)5-2-1-4(3-10)11-5/h1-3H |
| InChI Key | DIFPFGFTRSMNNU-UHFFFAOYSA-N |
| MDL Number | MFCD18250219 |
| Molecular Formula | C6H3F3OS |
| Molecular Weight | 180.1476 |
| SMILES | C1=C(SC(=C1)C(F)(F)F)C=O |
| Synonyms | 5-(TRIFLUOROMETHYL)THIOPHENE-2-CARBALDEHYDE,
901767-00-8,
SCHEMBL15898033,
DIFPFGFTRSMNNU-UHFFFAOYSA-N,
ZINC82396812,
AKOS022707344,
AB72561,
NE16263,
5-trifluoromethylthiophene-2-carbaldehyde,
2-Thiophenecarboxaldehyde, 5-(trifluoromethyl)-,
5-Trifluoromethyl-thiophene-2-carbaldehyde,
AJ-125273,
|
| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.98567g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.15g/mol |
| Monoisotopic Mass | 179.98567g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number