2-(1-Ethyl-5-fluoro-3-methyl-1H-pyrazol-4-yl)acetonitrile - CAS 1823967-69-6
Catalog: |
BB050753 |
Product Name: |
2-(1-Ethyl-5-fluoro-3-methyl-1H-pyrazol-4-yl)acetonitrile |
CAS: |
1823967-69-6 |
Synonyms: |
(1-ethyl-5-fluoro-3-methyl-1H-pyrazol-4-yl)acetonitrile; 1H-Pyrazole-4-acetonitrile, 1-ethyl-5-fluoro-3-methyl- |
IUPAC Name: | 2-(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)acetonitrile |
Molecular Weight: | 167.18 |
Molecular Formula: | C8H10FN3 |
Canonical SMILES: | CCN1C(=C(C(=N1)C)CC#N)F |
InChI: | InChI=1S/C8H10FN3/c1-3-12-8(9)7(4-5-10)6(2)11-12/h3-4H2,1-2H3 |
InChI Key: | XRVPEUZZVKGUAS-UHFFFAOYSA-N |
Boiling Point: | 284.2±35.0°C (Predicted) |
Purity: | ≥95% |
Density: | 1.14±0.1 g/cm3 (Predicted) |
Complexity: | 198 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.08587549 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.08587549 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 41.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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