| CAS Number | 1803587-81-6 |
| Catalog Number | AG01B9RI |
| Chemical Name | 2-Bromo-1-(2-methoxypyridin-3-yl)ethan-1-one hydrobromide |
| IUPAC Name | 2-bromo-1-(2-methoxypyridin-3-yl)ethanone;hydrobromide |
| InChI | InChI=1S/C8H8BrNO2.BrH/c1-12-8-6(7(11)5-9)3-2-4-10-8;/h2-4H,5H2,1H3;1H |
| InChI Key | ALYKYHFFTUISBQ-UHFFFAOYSA-N |
| MDL Number | MFCD28383967 |
| Molecular Formula | C8H9Br2NO2 |
| Molecular Weight | 310.9706 |
| SMILES | Br.BrCC(=O)C=1C(=NC=CC1)OC |
| Synonyms | 2-bromo-1-(2-methoxypyridin-3-yl)ethan-1-one hydrobromide,
1803587-81-6,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 310.898g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 310.973g/mol |
| Monoisotopic Mass | 308.9g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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