| CAS Number | 1156360-72-3 |
| Catalog Number | AG01C3OM |
| Chemical Name | 1-(2-fluoro-4-methoxyphenyl)-2-methylpropan-1-one |
| IUPAC Name | 1-(2-fluoro-4-methoxyphenyl)-2-methylpropan-1-one |
| InChI | InChI=1S/C11H13FO2/c1-7(2)11(13)9-5-4-8(14-3)6-10(9)12/h4-7H,1-3H3 |
| InChI Key | BWPPWJKAKYCADA-UHFFFAOYSA-N |
| MDL Number | MFCD12139013 |
| Molecular Formula | C11H13FO2 |
| Molecular Weight | 196.2181 |
| SMILES | COC1=CC(F)=C(C(C(C)C)=O)C=C1 |
| Synonyms | 1-(2-fluoro-4-methoxyphenyl)-2-methylpropan-1-one,
1156360-72-3,
ZINC37409271,
|
| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.221g/mol |
| Monoisotopic Mass | 196.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number