| CAS Number | 1250313-60-0 |
| Catalog Number | AG019PSU(AGN-PC-0WOAS9) |
| Chemical Name | 6-(difluoromethoxy)-1,3-dioxaindane-5-carbaldehyde |
| IUPAC Name | 6-(difluoromethoxy)-1,3-benzodioxole-5-carbaldehyde |
| InChI | InChI=1S/C9H6F2O4/c10-9(11)15-6-2-8-7(13-4-14-8)1-5(6)3-12/h1-3,9H,4H2 |
| InChI Key | CAPIEPIEIICTKG-UHFFFAOYSA-N |
| MDL Number | MFCD16061351 |
| Molecular Formula | C9H6F2O4 |
| Molecular Weight | 216.1383 |
| SMILES | FC(OC1=C(C=O)C=C2C(OCO2)=C1)F |
| Synonyms | 6-(difluoromethoxy)-2H-1,3-benzodioxole-5-carbaldehyde,
1250313-60-0,
ZINC42875516,
AKOS010877609,
NE17698,
EN300-86392,
|
| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.14g/mol |
| Monoisotopic Mass | 216.023g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number