| CAS Number | 154258-06-7 |
| Catalog Number | AG01FPYV(AGN-PC-3H5P70) |
| Chemical Name | 1-(3-chloro-2,4-difluorophenyl)ethan-1-one |
| IUPAC Name | 1-(3-chloro-2,4-difluorophenyl)ethanone |
| InChI | InChI=1S/C8H5ClF2O/c1-4(12)5-2-3-6(10)7(9)8(5)11/h2-3H,1H3 |
| InChI Key | SXJZGJHYBNZBAX-UHFFFAOYSA-N |
| MDL Number | MFCD28555551 |
| Molecular Formula | C8H5ClF2O |
| Molecular Weight | 190.5745 |
| SMILES | c1(ccc(c(c1F)Cl)F)C(=O)C |
| Synonyms | ACN-056203,
1-(3-chloro-2,4-difluorophenyl)ethanone,
1-(3-Chloro-2,4-difluorophenyl)ethan-1-one,
154258-06-7,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.999699g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.57g/mol |
| Monoisotopic Mass | 189.999699g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number