| CAS Number | 1504554-92-0 |
| Catalog Number | AG00HXSS(AGN-PC-0WRA3D) |
| Chemical Name | 2,4,6-Trifluoro-3-methylbenzaldehyde |
| IUPAC Name | 2,4,6-trifluoro-3-methylbenzaldehyde |
| InChI | InChI=1S/C8H5F3O/c1-4-6(9)2-7(10)5(3-12)8(4)11/h2-3H,1H3 |
| InChI Key | KWZZMYMZEMFHJF-UHFFFAOYSA-N |
| MDL Number | MFCD29764382 |
| Molecular Formula | C8H5F3O |
| Molecular Weight | 174.1199 |
| SMILES | O=Cc1c(F)cc(c(c1F)C)F |
| Synonyms | 2,4,6-trifluoro-3-methylbenzaldehyde,
1504554-92-0,
SCHEMBL4746719,
ZINC142314836,
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| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.122g/mol |
| Monoisotopic Mass | 174.029g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
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