| CAS Number | 898766-45-5 |
| Catalog Number | AG00GWCF(AGN-PC-0WCGM5) |
| Chemical Name | 2'-Chloro-2,2-dimethyl-4'-fluoropropiophenone |
| IUPAC Name | 1-(2-chloro-4-fluorophenyl)-2,2-dimethylpropan-1-one |
| InChI | InChI=1S/C11H12ClFO/c1-11(2,3)10(14)8-5-4-7(13)6-9(8)12/h4-6H,1-3H3 |
| InChI Key | ASOVKFXRFZUTKX-UHFFFAOYSA-N |
| MDL Number | MFCD03841194 |
| Molecular Formula | C11H12ClFO |
| Molecular Weight | 214.6638 |
| SMILES | CC(C(C1=C(Cl)C=C(F)C=C1)=O)(C)C |
| Synonyms | 2'-chloro-2,2-dimethyl-4'-fluoropropiophenone,
898766-45-5,
1-(2-chloro-4-fluorophenyl)-2,2-dimethylpropan-1-one,
SCHEMBL13851494,
CTK5G4728,
DTXSID00600443,
ZINC2514250,
MFCD03841194,
AKOS012241689,
MCULE-7797857503,
NE53886,
Z1501472392,
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| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.664g/mol |
| Monoisotopic Mass | 214.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number