| CAS Number | 1803586-46-0 |
| Catalog Number | AG01BE0B(AGN-PC-0WOQZZ) |
| Chemical Name | 3-(4-Fluorophenyl)-3-methylcyclobutan-1-one |
| IUPAC Name | 3-(4-fluorophenyl)-3-methylcyclobutan-1-one |
| InChI | InChI=1S/C11H11FO/c1-11(6-10(13)7-11)8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3 |
| InChI Key | SZJCTSURQQWMEX-UHFFFAOYSA-N |
| MDL Number | MFCD28063756 |
| Molecular Formula | C11H11FO |
| Molecular Weight | 178.2028 |
| SMILES | FC1=CC=C(C=C1)C1(CC(C1)=O)C |
| Synonyms | 3-(4-fluorophenyl)-3-methylcyclobutan-1-one,
1803586-46-0,
SCHEMBL9250653,
ZINC98095518,
AKOS026741427,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.206g/mol |
| Monoisotopic Mass | 178.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number