| CAS Number | 1363512-23-5 |
| Catalog Number | AG01BCER |
| Chemical Name | 4-(Trifluoromethyl)thiophene-3-carbaldehyde |
| IUPAC Name | 4-(trifluoromethyl)thiophene-3-carbaldehyde |
| InChI | InChI=1S/C6H3F3OS/c7-6(8,9)5-3-11-2-4(5)1-10/h1-3H |
| InChI Key | LLNJYPBOAYVSJW-UHFFFAOYSA-N |
| MDL Number | MFCD28678628 |
| Molecular Formula | C6H3F3OS |
| Molecular Weight | 180.1476 |
| SMILES | FC(C1C(C=O)=CSC=1)(F)F |
| Synonyms | 4-(trifluoromethyl)thiophene-3-carbaldehyde,
1363512-23-5,
3-Thiophenecarboxaldehyde, 4-(trifluoromethyl)-,
ZINC75525112,
|
| 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 | 1.9 |
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