2-Bromo-5-butoxypyridine - CAS 856850-75-4
Catalog: |
BB072350 |
Product Name: |
2-Bromo-5-butoxypyridine |
CAS: |
856850-75-4 |
Synonyms: |
2-Bromo-5-butoxypyridine |
IUPAC Name: | 2-bromo-5-butoxypyridine |
Description: | 2-Bromo-5-butoxypyridine |
Molecular Weight: | 230.1 |
Molecular Formula: | C9H12BrNO |
Canonical SMILES: | CCCCOC1=CN=C(C=C1)Br |
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 |
Complexity: | 121 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.01023 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.01023 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 22.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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