| CAS Number | 1261854-31-2 |
| Catalog Number | AG01B9S4 |
| Chemical Name | 2-methoxy-6-(trifluoromethoxy)benzaldehyde |
| IUPAC Name | 2-methoxy-6-(trifluoromethoxy)benzaldehyde |
| InChI | InChI=1S/C9H7F3O3/c1-14-7-3-2-4-8(6(7)5-13)15-9(10,11)12/h2-5H,1H3 |
| InChI Key | AAFNHJQZSHIWIR-UHFFFAOYSA-N |
| MDL Number | MFCD18398415 |
| Molecular Formula | C9H7F3O3 |
| Molecular Weight | 220.1453 |
| SMILES | COC1=C(C=O)C(OC(F)(F)F)=CC=C1 |
| Synonyms | 2-Methoxy-6-(trifluoromethoxy)benzaldehyde,
1261854-31-2,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.147g/mol |
| Monoisotopic Mass | 220.035g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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