| CAS Number | 85465-50-5 |
| Catalog Number | AG00GP7G(AGN-PC-00LT8E) |
| Chemical Name | 2-Fluoro-1-(3-methoxyphenyl)ethanone |
| IUPAC Name | 2-fluoro-1-(3-methoxyphenyl)ethanone |
| InChI | InChI=1S/C9H9FO2/c1-12-8-4-2-3-7(5-8)9(11)6-10/h2-5H,6H2,1H3 |
| InChI Key | APIXJJJKZGSCON-UHFFFAOYSA-N |
| MDL Number | MFCD24693306 |
| Molecular Formula | C9H9FO2 |
| Molecular Weight | 168.1650 |
| SMILES | COC1=CC(C(CF)=O)=CC=C1 |
| Synonyms | 2-Fluoro-1-(3-methoxyphenyl)ethanone,
85465-50-5,
Ethanone, 2-fluoro-1-(3-methoxyphenyl)- (9CI),
SCHEMBL10830363,
ZINC39054809,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.167g/mol |
| Monoisotopic Mass | 168.059g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number