| CAS Number | 1196145-03-5 |
| Catalog Number | AG01C370 |
| Chemical Name | 4-Chloro-3-ethynylpyridine |
| IUPAC Name | 4-chloro-3-ethynylpyridine |
| InChI | InChI=1S/C7H4ClN/c1-2-6-5-9-4-3-7(6)8/h1,3-5H |
| InChI Key | NVOPIHOTQFRMQJ-UHFFFAOYSA-N |
| MDL Number | MFCD13189758 |
| Molecular Formula | C7H4ClN |
| Molecular Weight | 137.5664 |
| SMILES | C#CC1=C(Cl)C=CN=C1 |
| Synonyms | 4-chloro-3-ethynylpyridine,
1196145-03-5,
SCHEMBL5700078,
Pyridine, 4-chloro-3-ethynyl-,
DTXSID40634101,
ZINC95761562,
AB69058,
F-5084,
|
| Complexity | 135 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 137.003g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 137.566g/mol |
| Monoisotopic Mass | 137.003g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number