(5-Fluoro-2-thienyl)acetonitrile - CAS 950604-65-6
Catalog: |
BB050711 |
Product Name: |
(5-Fluoro-2-thienyl)acetonitrile |
CAS: |
950604-65-6 |
Synonyms: |
2-Thiopheneacetonitrile, 5-fluoro-; (5-Fluoro-thiophen-2-yl)-acetonitrile; 2-Fluorothiophene-5-acetonitrile |
IUPAC Name: | 2-(5-fluorothiophen-2-yl)acetonitrile |
Molecular Weight: | 141.17 |
Molecular Formula: | C6H4FNS |
Canonical SMILES: | C1=C(SC(=C1)F)CC#N |
InChI: | InChI=1S/C6H4FNS/c7-6-2-1-5(9-6)3-4-8/h1-2H,3H2 |
InChI Key: | MHNHGPNTGZRZJL-UHFFFAOYSA-N |
Boiling Point: | 220.4±25.0°C (Predicted) |
Purity: | ≥95% |
Density: | 1.291±0.06 g/cm3 (Predicted) |
Complexity: | 139 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 141.00484847 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 141.00484847 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 52 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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