| CAS Number | 84853-08-7 |
| Catalog Number | AG01DHB1 |
| Chemical Name | 2-chloro-3-(4-methylbenzoyl)pyridine |
| IUPAC Name | (2-chloropyridin-3-yl)-(4-methylphenyl)methanone |
| InChI | InChI=1S/C13H10ClNO/c1-9-4-6-10(7-5-9)12(16)11-3-2-8-15-13(11)14/h2-8H,1H3 |
| InChI Key | UMASJTSMNGHEFE-UHFFFAOYSA-N |
| MDL Number | MFCD31802427 |
| Molecular Formula | C13H10ClNO |
| Molecular Weight | 231.6776 |
| SMILES | Cc1ccc(cc1)C(=O)c1cccnc1Cl |
| Synonyms | (2-Chloropyridin-3-yl)(p-tolyl)methanone,
84853-08-7,
|
| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.679g/mol |
| Monoisotopic Mass | 231.045g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 30A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
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