| CAS Number | 1697462-74-0 |
| Catalog Number | AG00HZC5(AGN-PC-0WOBLN) |
| Chemical Name | 2-Bromo-5-(3-methoxypropoxy)pyridine |
| IUPAC Name | 2-bromo-5-(3-methoxypropoxy)pyridine |
| InChI | InChI=1S/C9H12BrNO2/c1-12-5-2-6-13-8-3-4-9(10)11-7-8/h3-4,7H,2,5-6H2,1H3 |
| InChI Key | OWZSJIAZNXBBIL-UHFFFAOYSA-N |
| MDL Number | MFCD28385213 |
| Molecular Formula | C9H12BrNO2 |
| Molecular Weight | 246.1011 |
| SMILES | COCCCOc1ccc(nc1)Br |
| Synonyms | 2-Bromo-5-(3-methoxypropoxy)pyridine,
1697462-74-0,
ZINC183264458,
|
| Complexity | 135 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.104g/mol |
| Monoisotopic Mass | 245.005g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 31.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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