| CAS Number | 856850-75-4 |
| Catalog Number | AG00IDQN(AGN-PC-0WP1TZ) |
| Chemical Name | 2-Bromo-5-butoxypyridine |
| IUPAC Name | 2-bromo-5-butoxypyridine |
| InChI | InChI=1S/C9H12BrNO/c1-2-3-6-12-8-4-5-9(10)11-7-8/h4-5,7H,2-3,6H2,1H3 |
| InChI Key | XNOZIGCXKARPGE-UHFFFAOYSA-N |
| MDL Number | MFCD28337597 |
| Molecular Formula | C9H12BrNO |
| Molecular Weight | 230.1017 |
| SMILES | CCCCOc1ccc(Br)nc1 |
| Synonyms | 2-Bromo-5-butoxypyridine,
856850-75-4,
SCHEMBL1109106,
ZINC115254438,
CS-0046951,
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| Complexity | 121 |
| 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 | 4 |
| Topological Polar Surface Area | 22.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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