| CAS Number | 63416-65-9 |
| Catalog Number | AG01AII6(AGN-PC-0NKEJA) |
| Chemical Name | 4-(2-Fluorophenyl)butan-2-one |
| IUPAC Name | 4-(2-fluorophenyl)butan-2-one |
| InChI | InChI=1S/C10H11FO/c1-8(12)6-7-9-4-2-3-5-10(9)11/h2-5H,6-7H2,1H3 |
| InChI Key | GDRXVYJUCGIYLB-UHFFFAOYSA-N |
| MDL Number | MFCD00517913 |
| Molecular Formula | C10H11FO |
| Molecular Weight | 166.1921 |
| SMILES | CC(CCC1=C(C=CC=C1)F)=O |
| Synonyms | 4-(2-fluorophenyl)butan-2-one,
63416-65-9,
SCHEMBL9220937,
4-(2-Fluorophenyl)-2-butanone,
GDRXVYJUCGIYLB-UHFFFAOYSA-N,
ZINC37408491,
AKOS009391357,
MCULE-3742205438,
NE11562,
EN300-77917,
Z1696860400,
|
| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.195g/mol |
| Monoisotopic Mass | 166.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number