3-(4-Fluorophenyl)benzonitrile - CAS 10540-33-7
Catalog: |
BB064745 |
Product Name: |
3-(4-Fluorophenyl)benzonitrile |
CAS: |
10540-33-7 |
Synonyms: |
3-(4-fluorophenyl)benzonitrile; 4'-Fluoro[1,1'-biphenyl]-3-carbonitrile; 4'-fluoro-biphenyl-3-carbonitrile |
IUPAC Name: | 3-(4-fluorophenyl)benzonitrile |
Description: | 3-(4-Fluorophenyl)benzonitrile |
Molecular Weight: | 197.21 |
Molecular Formula: | C13H8FN |
Canonical SMILES: | C1=CC(=CC(=C1)C2=CC=C(C=C2)F)C#N |
InChI: | InChI=1S/C13H8FN/c14-13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-15/h1-8H |
InChI Key: | ZDNUQACWNIURTE-UHFFFAOYSA-N |
Complexity: | 247 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 197.064077422 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.064077422 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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