| CAS Number | 1215994-75-4 |
| Catalog Number | AG01A71H |
| Chemical Name | 1-[5-bromo-2-(difluoromethoxy)phenyl]ethan-1-one |
| IUPAC Name | 1-[5-bromo-2-(difluoromethoxy)phenyl]ethanone |
| InChI | InChI=1S/C9H7BrF2O2/c1-5(13)7-4-6(10)2-3-8(7)14-9(11)12/h2-4,9H,1H3 |
| InChI Key | SLMZBPBIGSVKEU-UHFFFAOYSA-N |
| MDL Number | MFCD13188449 |
| Molecular Formula | C9H7BrF2O2 |
| Molecular Weight | 265.0515 |
| SMILES | CC(C1=CC(Br)=CC=C1OC(F)F)=O |
| Synonyms | 1-[5-bromo-2-(difluoromethoxy)phenyl]ethan-1-one,
1215994-75-4,
ZINC40544427,
AKOS008962261,
NE54416,
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.95975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.05g/mol |
| Monoisotopic Mass | 263.95975g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number