| CAS Number | 1227599-49-6 |
| Catalog Number | AG01C3PL |
| Chemical Name | 2-(5-Fluoropyrimidin-2-yl)acetonitrile |
| IUPAC Name | 2-(5-fluoropyrimidin-2-yl)acetonitrile |
| InChI | InChI=1S/C6H4FN3/c7-5-3-9-6(1-2-8)10-4-5/h3-4H,1H2 |
| InChI Key | VYPOSBDIBQYDLM-UHFFFAOYSA-N |
| MDL Number | MFCD16611295 |
| Molecular Formula | C6H4FN3 |
| Molecular Weight | 137.1145 |
| SMILES | N#CCC1=NC=C(F)C=N1 |
| Synonyms | 2-(5-Fluoropyrimidin-2-yl)acetonitrile,
1227599-49-6,
AKOS026732177,
ZINC157254914,
|
| Complexity | 142 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 137.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 137.117g/mol |
| Monoisotopic Mass | 137.039g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number