| CAS Number | 1187165-32-7 |
| Catalog Number | AG01DTNP(AGN-PC-0WCGID) |
| Chemical Name | (6-Chloropyridin-3-yl)(2,4-dimethylphenyl)methanone |
| IUPAC Name | (6-chloropyridin-3-yl)-(2,4-dimethylphenyl)methanone |
| InChI | InChI=1S/C14H12ClNO/c1-9-3-5-12(10(2)7-9)14(17)11-4-6-13(15)16-8-11/h3-8H,1-2H3 |
| InChI Key | QLRIWCYUHWIXET-UHFFFAOYSA-N |
| MDL Number | MFCD13153386 |
| Molecular Formula | C14H12ClNO |
| Molecular Weight | 245.7042 |
| SMILES | Cc1ccc(C(=O)c2ccc(Cl)nc2)c(C)c1 |
| Synonyms | 2-Chloro-5-(2,4-dimethylbenzoyl)pyridine,
1187165-32-7,
(6-Chloropyridin-3-yl)(2,4-dimethylphenyl)methanone,
MFCD13153386,
ZINC45038880,
AKOS016019705,
BC1397372,
CS-0061226,
(6-chloropyridin-3-yl)-(2,4-dimethylphenyl)methanone,
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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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