| CAS Number | 1193779-97-3 |
| Catalog Number | AG000INW(AGN-PC-0WD5LM) |
| Chemical Name | 1-Propanone, 1-(5-chloro-2-methylphenyl)- |
| IUPAC Name | 1-(5-chloro-2-methylphenyl)propan-1-one |
| InChI | InChI=1S/C10H11ClO/c1-3-10(12)9-6-8(11)5-4-7(9)2/h4-6H,3H2,1-2H3 |
| InChI Key | VWJBDJMIASDRMJ-UHFFFAOYSA-N |
| MDL Number | MFCD11617659 |
| Molecular Formula | C10H11ClO |
| Molecular Weight | 182.6467 |
| SMILES | CCC(=O)c1cc(Cl)ccc1C |
| Synonyms | 1-(5-Chloro-2-methylphenyl)propan-1-one,
1193779-97-3,
3'-chloro-6'-methylpropiophenone,
5'-Chloro-2'-methylpropiophenone,
ZINC49805798,
AKOS006316654,
AJ-111435,
CS-0061424,
1-Propanone, 1-(5-chloro-2-methylphenyl)-,
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| 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 | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number