| CAS Number | 1909316-31-9 |
| Catalog Number | AG01AN7P |
| Chemical Name | ethyl 6-(bromomethyl)pyridine-3-carboxylate hydrobromide |
| IUPAC Name | ethyl 6-(bromomethyl)pyridine-3-carboxylate;hydrobromide |
| InChI | InChI=1S/C9H10BrNO2.BrH/c1-2-13-9(12)7-3-4-8(5-10)11-6-7;/h3-4,6H,2,5H2,1H3;1H |
| InChI Key | QIKLKOHXIAAJCG-UHFFFAOYSA-N |
| MDL Number | MFCD29047191 |
| Molecular Formula | C9H11Br2NO2 |
| Molecular Weight | 324.9971 |
| SMILES | Br.CCOC(C1=CN=C(CBr)C=C1)=O |
| Synonyms | 1909316-31-9,
ethyl 6-(bromomethyl)pyridine-3-carboxylate hydrobromide,
|
| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 324.914g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 325g/mol |
| Monoisotopic Mass | 322.916g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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