| CAS Number | 124258-25-9 |
| Catalog Number | AG019SCJ |
| Chemical Name | 1-(4-Fluorophenyl)-3-methylbutan-2-one |
| IUPAC Name | 1-(4-fluorophenyl)-3-methylbutan-2-one |
| InChI | InChI=1S/C11H13FO/c1-8(2)11(13)7-9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3 |
| InChI Key | JPHJGAJIOXBGCU-UHFFFAOYSA-N |
| MDL Number | MFCD11934894 |
| Molecular Formula | C11H13FO |
| Molecular Weight | 180.2187 |
| SMILES | CC(C(CC1=CC=C(F)C=C1)=O)C |
| Synonyms | 1-(4-fluorophenyl)-3-methylbutan-2-one,
124258-25-9,
SCHEMBL8234154,
ZINC32007406,
AKOS010014278,
MCULE-2060529357,
NE18295,
EN300-93124,
Z1267882003,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.222g/mol |
| Monoisotopic Mass | 180.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number