| CAS Number | 1289156-16-6 |
| Catalog Number | AG00HRVF(AGN-PC-0WRAA2) |
| Chemical Name | 5-Bromo-4-methyl-2-propoxypyridine |
| IUPAC Name | 5-bromo-4-methyl-2-propoxypyridine |
| InChI | InChI=1S/C9H12BrNO/c1-3-4-12-9-5-7(2)8(10)6-11-9/h5-6H,3-4H2,1-2H3 |
| InChI Key | INIMTJQVRIRZGX-UHFFFAOYSA-N |
| MDL Number | MFCD29112978 |
| Molecular Formula | C9H12BrNO |
| Molecular Weight | 230.1017 |
| SMILES | c1(cnc(cc1C)OCCC)Br |
| Synonyms | 5-bromo-4-methyl-2-propoxypyridine,
1289156-16-6,
SCHEMBL9936717,
ZINC164063040,
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| Complexity | 132 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.105g/mol |
| Monoisotopic Mass | 229.01g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 22.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
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