| CAS Number | 1256823-11-6 |
| Catalog Number | AG000OG0(AGN-PC-0WCR3A) |
| Chemical Name | 1-(3-Bromo-5-chloropyridin-2-yl)ethanone |
| IUPAC Name | 1-(3-bromo-5-chloropyridin-2-yl)ethanone |
| InChI | InChI=1S/C7H5BrClNO/c1-4(11)7-6(8)2-5(9)3-10-7/h2-3H,1H3 |
| InChI Key | KMNWYNVTWPFJNR-UHFFFAOYSA-N |
| MDL Number | MFCD18255548 |
| Molecular Formula | C7H5BrClNO |
| Molecular Weight | 234.4777 |
| SMILES | CC(=O)C1=NC=C(Cl)C=C1Br |
| Synonyms | 1-(3-BROMO-5-CHLOROPYRIDIN-2-YL)ETHANONE,
1256823-11-6,
MFCD18255548,
DTXSID80857413,
ZINC91692951,
FCH1365267,
AK186862,
BL010230,
OR300156,
PS-11708,
AB0087230,
1-(3-Bromo-5-chloropyridin-2-yl)ethan-1-one,
Ethanone, 1-(3-bromo-5-chloro-2-pyridinyl)-,
X-1276,
|
| 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
Lot Number