| CAS Number | 1427022-57-8 |
| Catalog Number | AG01C73S |
| Chemical Name | 1-(2-Fluoroethyl)-1H-pyrazole-4-carbonitrile |
| IUPAC Name | 1-(2-fluoroethyl)pyrazole-4-carbonitrile |
| InChI | InChI=1S/C6H6FN3/c7-1-2-10-5-6(3-8)4-9-10/h4-5H,1-2H2 |
| InChI Key | VQAJCJSXIBDFDA-UHFFFAOYSA-N |
| MDL Number | MFCD23130724 |
| Molecular Formula | C6H6FN3 |
| Molecular Weight | 139.1303 |
| SMILES | FCCN1N=CC(C#N)=C1 |
| Synonyms | 1-(2-Fluoroethyl)-1H-pyrazole-4-carbonitrile,
1427022-57-8,
ZINC95093828,
AKOS024048113,
1-(2-Fluoro-ethyl)-1H-pyrazole-4-carbonitrile,
|
| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 139.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 139.133g/mol |
| Monoisotopic Mass | 139.055g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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Lot Number