| CAS Number | 1214327-81-7 |
| Catalog Number | AG01A11X |
| Chemical Name | 1-(2-Chloro-6-fluorophenyl)propan-1-one |
| IUPAC Name | 1-(2-chloro-6-fluorophenyl)propan-1-one |
| InChI | InChI=1S/C9H8ClFO/c1-2-8(12)9-6(10)4-3-5-7(9)11/h3-5H,2H2,1H3 |
| InChI Key | HTMBPXWVGGBDTA-UHFFFAOYSA-N |
| MDL Number | MFCD13194250 |
| Molecular Formula | C9H8ClFO |
| Molecular Weight | 186.6106 |
| SMILES | CCC(C1=C(Cl)C=CC=C1F)=O |
| Synonyms | 1-(2-chloro-6-fluorophenyl)propan-1-one,
1214327-81-7,
SCHEMBL6462215,
2'-Chloro-6'-fluoropropiophenone,
ZINC36179714,
AKOS022274094,
MCULE-5554440507,
NE25865,
Z1442183560,
|
| 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 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number