| CAS Number | 868390-64-1 |
| Catalog Number | AG01DTN5(AGN-PC-0OKNRV) |
| Chemical Name | 4-(4-bromobenzoyl)-2-chloropyridine |
| IUPAC Name | (4-bromophenyl)-(2-chloropyridin-4-yl)methanone |
| InChI | InChI=1S/C12H7BrClNO/c13-10-3-1-8(2-4-10)12(16)9-5-6-15-11(14)7-9/h1-7H |
| InChI Key | JVORILAKYRUWNG-UHFFFAOYSA-N |
| MDL Number | MFCD31802426 |
| Molecular Formula | C12H7BrClNO |
| Molecular Weight | 296.5471 |
| SMILES | Clc1cc(ccn1)C(=O)c1ccc(Br)cc1 |
| Synonyms | (4-Bromophenyl)(2-chloropyridin-4-yl)methanone,
868390-64-1,
Methanone, (4-bromophenyl)(2-chloro-4-pyridinyl)-,
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| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 294.94g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 296.548g/mol |
| Monoisotopic Mass | 294.94g/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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