| CAS Number | 629625-30-5 |
| Catalog Number | AG01FS1K(AGN-PC-0ODY7I) |
| Chemical Name | 2-(Bromomethyl)-4-methoxy-3,5-dimethylpyridine hydrobromide |
| IUPAC Name | 2-(bromomethyl)-4-methoxy-3,5-dimethylpyridine;hydrobromide |
| InChI | InChI=1S/C9H12BrNO.BrH/c1-6-5-11-8(4-10)7(2)9(6)12-3;/h5H,4H2,1-3H3;1H |
| InChI Key | DTSWHFKRLKMZDZ-UHFFFAOYSA-N |
| MDL Number | MFCD31698473 |
| Molecular Formula | C9H13Br2NO |
| Molecular Weight | 311.0136 |
| SMILES | Br.BrCC1=NC=C(C(=C1C)OC)C |
| Synonyms | 2-(Bromomethyl)-4-methoxy-3,5-dimethylpyridine hydrobromide,
629625-30-5,
AK00739450,
|
| Complexity | 143 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 310.93434g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 311.01g/mol |
| Monoisotopic Mass | 308.93639g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 22.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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