| CAS Number | 913073-68-4 |
| Catalog Number | AG019TVE |
| Chemical Name | 2-Chloro-1-(2,4-difluoro-5-methylphenyl)ethan-1-one |
| IUPAC Name | 2-chloro-1-(2,4-difluoro-5-methylphenyl)ethanone |
| InChI | InChI=1S/C9H7ClF2O/c1-5-2-6(9(13)4-10)8(12)3-7(5)11/h2-3H,4H2,1H3 |
| InChI Key | DVNXCBMHUAQZLS-UHFFFAOYSA-N |
| MDL Number | MFCD22056479 |
| Molecular Formula | C9H7ClF2O |
| Molecular Weight | 204.6011 |
| SMILES | CC1=C(F)C=C(F)C(C(CCl)=O)=C1 |
| Synonyms | 2-chloro-1-(2,4-difluoro-5-methylphenyl)ethan-1-one,
913073-68-4,
SCHEMBL4213481,
DVNXCBMHUAQZLS-UHFFFAOYSA-N,
ZINC74942815,
AKOS017717433,
NE17729,
2-chloro-1-(2,4-difluoro-5-methylphenyl)ethanone,
alpha-Chloro-2',4'-difluoro-5'-methylacetophenone,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.601g/mol |
| Monoisotopic Mass | 204.015g/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 |
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Certificate of Analysis
Lot Number