2-(3-Fluorophenyl)benzonitrile - CAS 1352318-38-7
Catalog: |
BB064720 |
Product Name: |
2-(3-Fluorophenyl)benzonitrile |
CAS: |
1352318-38-7 |
Synonyms: |
2-(3-Fluorophenyl)benzonitrile |
IUPAC Name: | 2-(3-fluorophenyl)benzonitrile |
Description: | 2-(3-Fluorophenyl)benzonitrile |
Molecular Weight: | 197.21 |
Molecular Formula: | C13H8FN |
Canonical SMILES: | C1=CC=C(C(=C1)C#N)C2=CC(=CC=C2)F |
InChI: | InChI=1S/C13H8FN/c14-12-6-3-5-10(8-12)13-7-2-1-4-11(13)9-15/h1-8H |
InChI Key: | TWLRDJROKMCJIU-UHFFFAOYSA-N |
Complexity: | 255 |
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: | 3.6 |
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