| CAS Number | 868390-69-6 |
| Catalog Number | AG01DHIJ(AGN-PC-0OKNS4) |
| Chemical Name | (2-Chloropyridin-4-yl)(3,4-dimethylphenyl)methanone |
| IUPAC Name | (2-chloropyridin-4-yl)-(3,4-dimethylphenyl)methanone |
| InChI | InChI=1S/C14H12ClNO/c1-9-3-4-11(7-10(9)2)14(17)12-5-6-16-13(15)8-12/h3-8H,1-2H3 |
| InChI Key | NHJFZCCRLGDZEY-UHFFFAOYSA-N |
| MDL Number | MFCD24838544 |
| Molecular Formula | C14H12ClNO |
| Molecular Weight | 245.7042 |
| SMILES | Cc1ccc(cc1C)C(=O)c1ccnc(Cl)c1 |
| Synonyms | (2-Chloropyridin-4-yl)(3,4-dimethylphenyl)methanone,
868390-69-6,
AKOS019024117,
CS-0059711,
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| Complexity | 281 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.706g/mol |
| Monoisotopic Mass | 245.061g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 30A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
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Certificate of Analysis
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