| CAS Number | 147249-30-7 |
| Catalog Number | AG019ZGD(AGN-PC-0F4H5O) |
| Chemical Name | 2-(Difluoromethoxy)-5-methylbenzaldehyde |
| IUPAC Name | 2-(difluoromethoxy)-5-methylbenzaldehyde |
| InChI | InChI=1S/C9H8F2O2/c1-6-2-3-8(13-9(10)11)7(4-6)5-12/h2-5,9H,1H3 |
| InChI Key | GCAPSKHMYYUTMB-UHFFFAOYSA-N |
| MDL Number | MFCD18331348 |
| Molecular Formula | C9H8F2O2 |
| Molecular Weight | 186.1554 |
| SMILES | CC1=CC(C=O)=C(OC(F)F)C=C1 |
| Synonyms | 2-(difluoromethoxy)-5-methylbenzaldehyde,
147249-30-7,
SCHEMBL18145704,
ZINC70955474,
AKOS012628988,
NE16282,
Benzaldehyde, 2-(difluoromethoxy)-5-methyl-,
A1-12670,
|
| Complexity | 173 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.158g/mol |
| Monoisotopic Mass | 186.049g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number