| CAS Number | 80099-94-1 |
| Catalog Number | AG01DHPU(AGN-PC-02NBCL) |
| Chemical Name | (4-Chlorophenyl)(6-chloro-3-pyridinyl)methanone |
| IUPAC Name | (4-chlorophenyl)-(6-chloropyridin-3-yl)methanone |
| InChI | InChI=1S/C12H7Cl2NO/c13-10-4-1-8(2-5-10)12(16)9-3-6-11(14)15-7-9/h1-7H |
| InChI Key | SHWBRLXYOYRCIM-UHFFFAOYSA-N |
| MDL Number | MFCD11521204 |
| Molecular Formula | C12H7Cl2NO |
| Molecular Weight | 252.0961 |
| SMILES | ClC1=CC=C(C=N1)C(C1C=CC(=CC=1)Cl)=O |
| Synonyms | 5-(4-Chlorobenzoyl)-2-chloropyridine,
80099-94-1,
2-chloro-5-(4-chlorobenzoyl)pyridine,
(4-chlorophenyl)(6-chloropyridin-3-yl)methanone,
(4-Chlorophenyl)-(6-chloropyridin-3-yl)methanone,
SCHEMBL2475597,
SHWBRLXYOYRCIM-UHFFFAOYSA-N,
MFCD11521204,
ZINC45038716,
AKOS016019725,
CS-0060231,
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| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.094g/mol |
| Monoisotopic Mass | 250.99g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 30A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
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Certificate of Analysis
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