| CAS Number | 1214372-36-7 |
| Catalog Number | AG019TAR |
| Chemical Name | 1-(2-(Difluoromethoxy)-4-fluorophenyl)ethan-1-one |
| IUPAC Name | 1-[2-(difluoromethoxy)-4-fluorophenyl]ethanone |
| InChI | InChI=1S/C9H7F3O2/c1-5(13)7-3-2-6(10)4-8(7)14-9(11)12/h2-4,9H,1H3 |
| InChI Key | MWMOUUMPTVYZAJ-UHFFFAOYSA-N |
| MDL Number | MFCD14698493 |
| Molecular Formula | C9H7F3O2 |
| Molecular Weight | 204.1459 |
| SMILES | CC(C1=CC=C(F)C=C1OC(F)F)=O |
| Synonyms | 1-[2-(difluoromethoxy)-4-fluorophenyl]ethan-1-one,
1214372-36-7,
ZINC47203338,
AKOS012366979,
MCULE-3181166983,
NE15838,
2'-Difluoromethoxy-4'-fluoroacetophenone,
Z1333761726,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.148g/mol |
| Monoisotopic Mass | 204.04g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number