| CAS Number | 1261500-70-2 |
| Catalog Number | AG000RTH(AGN-PC-0JH4DC) |
| Chemical Name | 2-Hydroxy-6-(trifluoromethoxy)benzaldehyde |
| IUPAC Name | 2-hydroxy-6-(trifluoromethoxy)benzaldehyde |
| InChI | InChI=1S/C8H5F3O3/c9-8(10,11)14-7-3-1-2-6(13)5(7)4-12/h1-4,13H |
| InChI Key | UVRULUZOERPFTP-UHFFFAOYSA-N |
| MDL Number | MFCD18397427 |
| Molecular Formula | C8H5F3O3 |
| Molecular Weight | 206.1187 |
| SMILES | OC1=C(C=O)C(OC(F)(F)F)=CC=C1 |
| Synonyms | 2-hydroxy-6-(trifluoromethoxy)benzaldehyde,
1261500-70-2,
SCHEMBL14354200,
MFCD18397427,
ZINC85344384,
BB 0261354,
Benzaldehyde, 2-hydroxy-6-(trifluoromethoxy)-,
8-chloroquinolin-4-ol,
57797-97-4,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.12g/mol |
| Monoisotopic Mass | 206.019g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
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