| CAS Number | 122601-80-3 |
| Catalog Number | AG01DKGI(AGN-PC-086GYR) |
| Chemical Name | (6-Chloropyridin-3-yl)(p-tolyl)methanone |
| IUPAC Name | (6-chloropyridin-3-yl)-(4-methylphenyl)methanone |
| InChI | InChI=1S/C13H10ClNO/c1-9-2-4-10(5-3-9)13(16)11-6-7-12(14)15-8-11/h2-8H,1H3 |
| InChI Key | DBWYSTAZFLHSES-UHFFFAOYSA-N |
| MDL Number | MFCD13153343 |
| Molecular Formula | C13H10ClNO |
| Molecular Weight | 231.6776 |
| SMILES | Cc1ccc(cc1)C(=O)c1ccc(Cl)nc1 |
| Synonyms | 2-Chloro-5-(4-methylbenzoyl)pyridine,
122601-80-3,
(6-Chloropyridin-3-yl)(p-tolyl)methanone,
(6-Chloropyridin-3-yl)-(4-methylphenyl)methanone,
SCHEMBL17676098,
MFCD13153343,
ZINC45038690,
AKOS016019692,
(6-Chloropyridin-3-yl)(p-tolyl)-methanone,
CS-0061300,
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| 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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