2-[[2-Fluoro-5-(trifluoromethyl)phenyl]thio]acetonitrile - CAS 304901-46-0
Catalog: |
BB064987 |
Product Name: |
2-[[2-Fluoro-5-(trifluoromethyl)phenyl]thio]acetonitrile |
CAS: |
304901-46-0 |
Synonyms: |
2-[[2-Fluoro-5-(trifluoromethyl)phenyl]thio]acetonitrile; 2-[2-fluoro-5-(trifluoromethyl)phenyl]sulfanylacetonitrile; 2-((2-Fluoro-5-(trifluoromethyl)phenyl)thio)acetonitrile; 2-[2-Fluoro-5-(trifluoromethyl)phenylthio]acetonitrile |
IUPAC Name: | 2-[2-fluoro-5-(trifluoromethyl)phenyl]sulfanylacetonitrile |
Molecular Weight: | 235.2 |
Molecular Formula: | C9H5F4NS |
Canonical SMILES: | C1=CC(=C(C=C1C(F)(F)F)SCC#N)F |
InChI: | InChI=1S/C9H5F4NS/c10-7-2-1-6(9(11,12)13)5-8(7)15-4-3-14/h1-2,5H,4H2 |
InChI Key: | NDTZGAYDRFONFL-UHFFFAOYSA-N |
Complexity: | 257 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.00788299 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.00788299 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 49.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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