| CAS Number | 96518-84-2 |
| Catalog Number | AG003M89(AGN-PC-0OOEEU) |
| Chemical Name | 5-(Trifluoromethyl)thiophene-3-carbaldehyde |
| IUPAC Name | 5-(trifluoromethyl)thiophene-3-carbaldehyde |
| InChI | InChI=1S/C6H3F3OS/c7-6(8,9)5-1-4(2-10)3-11-5/h1-3H |
| InChI Key | BBSMPLJHWLTFIH-UHFFFAOYSA-N |
| MDL Number | MFCD18250230 |
| Molecular Formula | C6H3F3OS |
| Molecular Weight | 180.1476 |
| SMILES | FC(C1SC=C(C=O)C=1)(F)F |
| Synonyms | 5-(TRIFLUOROMETHYL)THIOPHENE-3-CARBALDEHYDE,
96518-84-2,
SCHEMBL17582655,
BBSMPLJHWLTFIH-UHFFFAOYSA-N,
MFCD18250230,
ZINC76603653,
AB72584,
AJ-122179,
3-Cyclopropylbenzonitrile,
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| 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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number