| CAS Number | 176548-87-1 |
| Catalog Number | AG00ALL1(AGN-PC-0QAYAG) |
| Chemical Name | Ethanone, 1-(3-fluoro-5-methoxyphenyl)- (9CI) |
| IUPAC Name | 1-(3-fluoro-5-methoxyphenyl)ethanone |
| InChI | InChI=1S/C9H9FO2/c1-6(11)7-3-8(10)5-9(4-7)12-2/h3-5H,1-2H3 |
| InChI Key | BRFKUZHHUNUCPU-UHFFFAOYSA-N |
| MDL Number | MFCD11553459 |
| Molecular Formula | C9H9FO2 |
| Molecular Weight | 168.1650 |
| SMILES | CC(=O)C1=CC(=CC(=C1)OC)F |
| Synonyms | 176548-87-1,
1-(3-FLUORO-5-METHOXYPHENYL)ETHANONE,
3'-FLUORO-5'-METHOXYACETOPHENONE,
1-(3-FLUORO-5-METHOXYPHENYL)ETHAN-1-ONE,
SCHEMBL1765000,
ZINC39072376,
AKOS006324113,
AB64285,
AS-43968,
1-(3-Fluoro-5-methoxy-phenyl)-ethan one,
Ethanone, 1-(3-fluoro-5-methoxyphenyl)- (9CI),
|
| Complexity | 170 |
| 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 | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number