| CAS Number | 167858-57-3 |
| Catalog Number | AG01DYT2(AGN-PC-02IJYP) |
| Chemical Name | 4-Ethynyl-2-fluorobenzonitrile |
| IUPAC Name | 4-ethynyl-2-fluorobenzonitrile |
| InChI | InChI=1S/C9H4FN/c1-2-7-3-4-8(6-11)9(10)5-7/h1,3-5H |
| InChI Key | VUYGWVFHDIXILT-UHFFFAOYSA-N |
| MDL Number | MFCD11618086 |
| Molecular Formula | C9H4FN |
| Molecular Weight | 145.1332 |
| SMILES | N#CC1=CC=C(C#C)C=C1F |
| Synonyms | 4-ethynyl-2-fluorobenzonitrile,
167858-57-3,
SCHEMBL2390105,
4-Cyano-3-fluorophenylacetylene,
4-ethynyl-2-fluoro-benzonitrile,
VUYGWVFHDIXILT-UHFFFAOYSA-N,
MFCD11618086,
ZINC36533561,
AKOS006315550,
|
| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 145.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 145.136g/mol |
| Monoisotopic Mass | 145.033g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number