| CAS Number | 1196156-81-6 |
| Catalog Number | AG01B9AB(AGN-PC-0WD7UQ) |
| Chemical Name | 4-Ethynyl-3-fluoropyridine |
| IUPAC Name | 4-ethynyl-3-fluoropyridine |
| InChI | InChI=1S/C7H4FN/c1-2-6-3-4-9-5-7(6)8/h1,3-5H |
| InChI Key | KKRSELMJVNTLBB-UHFFFAOYSA-N |
| MDL Number | MFCD13189776 |
| Molecular Formula | C7H4FN |
| Molecular Weight | 121.1118 |
| SMILES | FC1=C(C=CN=C1)C#C |
| Synonyms | 4-ethynyl-3-fluoropyridine,
1196156-81-6,
DTXSID90726186,
ZINC95761572,
AKOS030237965,
AB69094,
F-1018,
|
| Complexity | 135 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 121.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 121.114g/mol |
| Monoisotopic Mass | 121.033g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number