| CAS Number | 35887-71-9 |
| Catalog Number | AG01EAAR(AGN-PC-09RNVY) |
| Chemical Name | 1-(4-Chloro-2,6-dimethylphenyl)ethanone |
| IUPAC Name | 1-(4-chloro-2,6-dimethylphenyl)ethanone |
| InChI | InChI=1S/C10H11ClO/c1-6-4-9(11)5-7(2)10(6)8(3)12/h4-5H,1-3H3 |
| InChI Key | YTPYRGOFBLEEBD-UHFFFAOYSA-N |
| MDL Number | MFCD11846955 |
| Molecular Formula | C10H11ClO |
| Molecular Weight | 182.6467 |
| SMILES | CC(C1=C(C)C=C(Cl)C=C1C)=O |
| Synonyms | 1-(4-CHLORO-2,6-DIMETHYLPHENYL)ETHANONE,
35887-71-9,
SCHEMBL2381170,
YTPYRGOFBLEEBD-UHFFFAOYSA-N,
ZINC118771536,
SC-31187,
Ethanone, 1-(4-chloro-2,6-dimethylphenyl)-,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.647g/mol |
| Monoisotopic Mass | 182.05g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number