| CAS Number | 733044-93-4 |
| Catalog Number | AG019HXG |
| Chemical Name | 4-[4-(difluoromethoxy)phenyl]butan-2-one |
| IUPAC Name | 4-[4-(difluoromethoxy)phenyl]butan-2-one |
| InChI | InChI=1S/C11H12F2O2/c1-8(14)2-3-9-4-6-10(7-5-9)15-11(12)13/h4-7,11H,2-3H2,1H3 |
| InChI Key | ABLIXIYSRZALED-UHFFFAOYSA-N |
| MDL Number | MFCD03980990 |
| Molecular Formula | C11H12F2O2 |
| Molecular Weight | 214.2086 |
| SMILES | CC(CCC1=CC=C(OC(F)F)C=C1)=O |
| Synonyms | 4-[4-(difluoromethoxy)phenyl]butan-2-one,
733044-93-4,
4-(4-Difluoromethoxy-phenyl)-butan-2-one,
AC1M5ZRP,
AC1Q1K5H,
SCHEMBL15864926,
CTK7B7383,
ZINC3246463,
AKOS008962422,
MCULE-2090386382,
NE34627,
EN300-05008,
Z55672025,
ZINC03246463,
CID2363710,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.212g/mol |
| Monoisotopic Mass | 214.081g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number