| CAS Number | 1305324-05-3 |
| Catalog Number | AG01DV7S |
| Chemical Name | 1-(4-Chloro-2-fluorophenyl)propan-2-one |
| IUPAC Name | 1-(4-chloro-2-fluorophenyl)propan-2-one |
| InChI | InChI=1S/C9H8ClFO/c1-6(12)4-7-2-3-8(10)5-9(7)11/h2-3,5H,4H2,1H3 |
| InChI Key | AUDBRBWMOXNBDE-UHFFFAOYSA-N |
| MDL Number | MFCD11553423 |
| Molecular Formula | C9H8ClFO |
| Molecular Weight | 186.6106 |
| SMILES | CC(CC1=C(F)C=C(Cl)C=C1)=O |
| Synonyms | 1-(4-chloro-2-fluorophenyl)propan-2-one,
1305324-05-3,
SCHEMBL19030836,
AKOS006322878,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.61g/mol |
| Monoisotopic Mass | 186.025g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number