| CAS Number | 501699-83-8 |
| Catalog Number | AG01BBMW(AGN-PC-0AF3IN) |
| Chemical Name | 4-(2,2-difluoroethoxy)-3,5-dimethoxybenzaldehyde |
| IUPAC Name | 4-(2,2-difluoroethoxy)-3,5-dimethoxybenzaldehyde |
| InChI | InChI=1S/C11H12F2O4/c1-15-8-3-7(5-14)4-9(16-2)11(8)17-6-10(12)13/h3-5,10H,6H2,1-2H3 |
| InChI Key | SZNSPJJPZPRCQY-UHFFFAOYSA-N |
| MDL Number | MFCD12876668 |
| Molecular Formula | C11H12F2O4 |
| Molecular Weight | 246.2074 |
| SMILES | COC1=C(OCC(F)F)C(OC)=CC(C=O)=C1 |
| Synonyms | 4-(2,2-difluoroethoxy)-3,5-dimethoxybenzaldehyde,
501699-83-8,
ZINC37756029,
AKOS005940861,
4-(2,2-Difluoroethoxy)-3,5-dimethoxybenzaldehyd,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.21g/mol |
| Monoisotopic Mass | 246.07g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 44.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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