| CAS Number | 1256808-29-3 |
| Catalog Number | AG009EF5(AGN-PC-0WNOZQ) |
| Chemical Name | 1-(5-BroMo-3-chloropyridin-2-yl)ethanone |
| IUPAC Name | 1-(5-bromo-3-chloropyridin-2-yl)ethanone |
| InChI | InChI=1S/C7H5BrClNO/c1-4(11)7-6(9)2-5(8)3-10-7/h2-3H,1H3 |
| InChI Key | WOJJYMNRQWXZJI-UHFFFAOYSA-N |
| MDL Number | MFCD18257815 |
| Molecular Formula | C7H5BrClNO |
| Molecular Weight | 234.4777 |
| SMILES | Brc1cnc(c(c1)Cl)C(=O)C |
| Synonyms | 1-(5-BroMo-3-chloropyridin-2-yl)ethanone,
1256808-29-3,
1-(5-BROMO-3-CHLOROPYRIDIN-2-YL)ETHAN-1-ONE,
SCHEMBL18335071,
MFCD18257815,
ZINC97758803,
AKOS027424647,
SC-94066,
1-(5-bromo-3-chloropyridin-2-yl)ethanone, 95% - 1G 1g,
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| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.924g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.477g/mol |
| Monoisotopic Mass | 232.924g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
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