| CAS Number | 203251-37-0 |
| Catalog Number | AG0028QZ(AGN-PC-0ND8UZ) |
| Chemical Name | 2-Chloro-1-(3-chloro-4-fluorophenyl)ethan-1-one |
| IUPAC Name | 2-chloro-1-(3-chloro-4-fluorophenyl)ethanone |
| InChI | InChI=1S/C8H5Cl2FO/c9-4-8(12)5-1-2-7(11)6(10)3-5/h1-3H,4H2 |
| InChI Key | AASJJWQLIAAUBM-UHFFFAOYSA-N |
| MDL Number | MFCD13173056 |
| Molecular Formula | C8H5Cl2FO |
| Molecular Weight | 207.0291 |
| SMILES | FC1=C(Cl)C=C(C(CCl)=O)C=C1 |
| Synonyms | 203251-37-0,
2-chloro-1-(3-chloro-4-fluorophenyl)ethan-1-one,
2-Chloro-1-(3-chloro-4-fluorophenyl)ethanone,
Ethanone, 2-chloro-1-(3-chloro-4-fluorophenyl)-,
SCHEMBL7144096,
2-CHLORO-1-(3-CHLORO-4-FLUOROPHENYL)-ETHANONE,
CTK0J0576,
DTXSID20449255,
4-Fluoro-3-chlorophenacyl chloride,
ZINC39055418,
AKOS010997564,
NE46872,
Z2492395560,
Ethanone,2-chloro-1- -,
CID10943668,
2-chloro-1-(3-chloro-4-fluoro-phenyl)ethanone,
Ethanone, 2-chloro-1-(3-chloro-4-fluorophenyl)- (9CI),
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| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.025g/mol |
| Monoisotopic Mass | 205.97g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
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