| CAS Number | 1482921-62-9 |
| Catalog Number | AG01C4I7 |
| Chemical Name | 1-(6,7-difluoro-1-benzofuran-2-yl)ethan-1-one |
| IUPAC Name | 1-(6,7-difluoro-1-benzofuran-2-yl)ethanone |
| InChI | InChI=1S/C10H6F2O2/c1-5(13)8-4-6-2-3-7(11)9(12)10(6)14-8/h2-4H,1H3 |
| InChI Key | IERHPXKAVQYYAN-UHFFFAOYSA-N |
| MDL Number | MFCD21233655 |
| Molecular Formula | C10H6F2O2 |
| Molecular Weight | 196.1502 |
| SMILES | CC(C1OC2=C(C=CC(=C2F)F)C=1)=O |
| Synonyms | 1-(6,7-difluoro-1-benzofuran-2-yl)ethan-1-one,
1482921-62-9,
ZINC83815304,
AKOS014764706,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.153g/mol |
| Monoisotopic Mass | 196.034g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number