3-(Trifluoromethyl)benzofuran-5-carbonitrile - CAS 1823954-84-2
Catalog: |
BB013972 |
Product Name: |
3-(Trifluoromethyl)benzofuran-5-carbonitrile |
CAS: |
1823954-84-2 |
Synonyms: |
3-(trifluoromethyl)-5-benzofurancarbonitrile; 3-(trifluoromethyl)-1-benzofuran-5-carbonitrile |
IUPAC Name: | 3-(trifluoromethyl)-1-benzofuran-5-carbonitrile |
Description: | 3-(Trifluoromethyl)benzofuran-5-carbonitrile (CAS# 1823954-84-2) is a useful research chemical. |
Molecular Weight: | 211.14 |
Molecular Formula: | C10H4F3NO |
Canonical SMILES: | C1=CC2=C(C=C1C#N)C(=CO2)C(F)(F)F |
InChI: | InChI=1S/C10H4F3NO/c11-10(12,13)8-5-15-9-2-1-6(4-14)3-7(8)9/h1-3,5H |
InChI Key: | QIFFUZBTMJMKQL-UHFFFAOYSA-N |
Complexity: | 293 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.02449824 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.02449824 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 36.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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