| CAS Number | 58966-35-1 |
| Catalog Number | AG00EKF1(AGN-PC-00ONE1) |
| Chemical Name | 1-(5-chloro-2-methylphenyl)ethan-1-one |
| IUPAC Name | 1-(5-chloro-2-methylphenyl)ethanone |
| InChI | InChI=1S/C9H9ClO/c1-6-3-4-8(10)5-9(6)7(2)11/h3-5H,1-2H3 |
| InChI Key | UEBGGERYVCEAEL-UHFFFAOYSA-N |
| MDL Number | MFCD11113486 |
| Molecular Formula | C9H9ClO |
| Molecular Weight | 168.6202 |
| SMILES | CC(C1=CC(Cl)=CC=C1C)=O |
| Synonyms | 1-(5-Chloro-2-methylphenyl)ethanone,
58966-35-1,
1-(5-chloro-2-Methylphenyl)ethan-1-one,
Ethanone, 1-(5-chloro-2-methylphenyl)-,
SCHEMBL3922668,
CTK1E8482,
5'-Chloro-2'-methylacetophenone,
DTXSID10570603,
ZINC34514208,
AKOS006307969,
AJ-89025,
CS-0061174,
ST24037437,
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| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.62g/mol |
| Monoisotopic Mass | 168.034g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number