[1-(2-Fluoro-ethyl)-1H-pyrazol-3-yl]-acetonitrile - CAS 1429417-56-0
Catalog: |
BB051458 |
Product Name: |
[1-(2-Fluoro-ethyl)-1H-pyrazol-3-yl]-acetonitrile |
CAS: |
1429417-56-0 |
Synonyms: |
1H-Pyrazole-3-acetonitrile, 1-(2-fluoroethyl)-; 2-[1-(2-fluoroethyl)-1H-pyrazol-3-yl]acetonitrile |
IUPAC Name: | 2-[1-(2-fluoroethyl)pyrazol-3-yl]acetonitrile |
Molecular Weight: | 153.16 |
Molecular Formula: | C7H8FN3 |
Canonical SMILES: | C1=CN(N=C1CC#N)CCF |
InChI: | InChI=1S/C7H8FN3/c8-3-6-11-5-2-7(10-11)1-4-9/h2,5H,1,3,6H2 |
InChI Key: | WJSUKGXZWDSGRX-UHFFFAOYSA-N |
Boiling Point: | 296.0±25.0°C at 760 mmHg |
Purity: | ≥95% |
Density: | 1.2±0.1 g/cm3 |
Complexity: | 162 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 153.07022543 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 153.07022543 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 41.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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