| CAS Number | 1339733-13-9 |
| Catalog Number | AG01BXME |
| Chemical Name | 2-(4-Chlorobut-1-yn-1-yl)pyridine |
| IUPAC Name | 2-(4-chlorobut-1-ynyl)pyridine |
| InChI | InChI=1S/C9H8ClN/c10-7-3-1-5-9-6-2-4-8-11-9/h2,4,6,8H,3,7H2 |
| InChI Key | GFQINEAATARLBR-UHFFFAOYSA-N |
| MDL Number | MFCD18855383 |
| Molecular Formula | C9H8ClN |
| Molecular Weight | 165.6195 |
| SMILES | ClCCC#CC1=NC=CC=C1 |
| Synonyms | 2-(4-chlorobut-1-yn-1-yl)pyridine,
1339733-13-9,
ZINC82505810,
AKOS012989372,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.62g/mol |
| Monoisotopic Mass | 165.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number