| CAS Number | 294860-70-1 |
| Catalog Number | AG01AHW6 |
| Chemical Name | 2-(Difluoromethoxy)-5-methoxybenzaldehyde |
| IUPAC Name | 2-(difluoromethoxy)-5-methoxybenzaldehyde |
| InChI | InChI=1S/C9H8F2O3/c1-13-7-2-3-8(14-9(10)11)6(4-7)5-12/h2-5,9H,1H3 |
| InChI Key | WBUIAXUBXNTOGR-UHFFFAOYSA-N |
| MDL Number | MFCD11618394 |
| Molecular Formula | C9H8F2O3 |
| Molecular Weight | 202.1548 |
| SMILES | COC1=CC(C=O)=C(OC(F)F)C=C1 |
| Synonyms | 2-(difluoromethoxy)-5-methoxybenzaldehyde,
294860-70-1,
ZINC37022153,
AKOS008962174,
NE15213,
EN300-75976,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.157g/mol |
| Monoisotopic Mass | 202.044g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number