| CAS Number | 1227581-44-3 |
| Catalog Number | AG018S66(AGN-PC-0WBQ1K) |
| Chemical Name | 6-Chloro-2-(trifluoromethyl)nicotinaldehyde |
| IUPAC Name | 6-chloro-2-(trifluoromethyl)pyridine-3-carbaldehyde |
| InChI | InChI=1S/C7H3ClF3NO/c8-5-2-1-4(3-13)6(12-5)7(9,10)11/h1-3H |
| InChI Key | OTSYHTUSHNJVSM-UHFFFAOYSA-N |
| MDL Number | MFCD16610713 |
| Molecular Formula | C7H3ClF3NO |
| Molecular Weight | 209.5530 |
| SMILES | FC(C1=C(C=O)C=CC(Cl)=N1)(F)F |
| Synonyms | 1227581-44-3,
6-chloro-2-(trifluoromethyl)nicotinaldehyde,
6-chloro-2-(trifluoromethyl)pyridine-3-carbaldehyde,
ZINC95961652,
AKOS026699863,
NE44136,
F8887-6461,
|
| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.986g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.552g/mol |
| Monoisotopic Mass | 208.986g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number