| CAS Number | 15089-73-3 |
| Catalog Number | AG001MXV(AGN-PC-0JCZ57) |
| Chemical Name | 1-(2-Chloro-4,5-dimethylphenyl)ethan-1-one |
| IUPAC Name | 1-(2-chloro-4,5-dimethylphenyl)ethanone |
| InChI | InChI=1S/C10H11ClO/c1-6-4-9(8(3)12)10(11)5-7(6)2/h4-5H,1-3H3 |
| InChI Key | SLYHPKAWFFEWPU-UHFFFAOYSA-N |
| MDL Number | MFCD19690991 |
| Molecular Formula | C10H11ClO |
| Molecular Weight | 182.6467 |
| SMILES | CC(C1=C(Cl)C=C(C)C(C)=C1)=O |
| Synonyms | 1-(2-chloro-4,5-dimethylphenyl)ethan-1-one,
15089-73-3,
1-(2-chloro-4,5-dimethyl-phenyl)-ethanone,
CTK0B1591,
DTXSID20776937,
ZINC83187983,
AKOS017523587,
MCULE-4451801290,
NE52781,
Acetophenone, 2'-chloro-4',5'-dimethyl-,
Ethanone, 1-(2-chloro-4,5-dimethylphenyl)-,
Z1642579361,
1-(2-chloro-4,5-dimethylphenyl)ethanone,
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| Complexity | 179 |
| 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
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Certificate of Analysis
Lot Number