| CAS Number | 1385021-19-1 |
| Catalog Number | AG01E7Z5 |
| Chemical Name | 5-butoxy-2-chloropyridine |
| IUPAC Name | 5-butoxy-2-chloropyridine |
| InChI | InChI=1S/C9H12ClNO/c1-2-3-6-12-8-4-5-9(10)11-7-8/h4-5,7H,2-3,6H2,1H3 |
| InChI Key | MKMNCGKKULINJW-UHFFFAOYSA-N |
| MDL Number | MFCD23903435 |
| Molecular Formula | C9H12ClNO |
| Molecular Weight | 185.6507 |
| SMILES | CCCCOC1=CN=C(Cl)C=C1 |
| Synonyms | 5-Butoxy-2-chloropyridine,
SCHEMBL1109069,
ZINC87542927,
AKOS019018243,
1385021-19-1,
|
| Complexity | 121 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.651g/mol |
| Monoisotopic Mass | 185.061g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 22.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number