3-Fluoro-5-phenylbenzonitrile - CAS 1214352-57-4
Catalog: |
BB063428 |
Product Name: |
3-Fluoro-5-phenylbenzonitrile |
CAS: |
1214352-57-4 |
Synonyms: |
3-Fluoro-5-phenylbenzonitrile; 3-Cyano-5-fluorobiphenyl; 5-Fluoro[1,1'-biphenyl]-3-carbonitrile |
IUPAC Name: | 3-fluoro-5-phenylbenzonitrile |
Molecular Weight: | 197.21 |
Molecular Formula: | C13H8FN |
Canonical SMILES: | C1=CC=C(C=C1)C2=CC(=CC(=C2)C#N)F |
InChI: | InChI=1S/C13H8FN/c14-13-7-10(9-15)6-12(8-13)11-4-2-1-3-5-11/h1-8H |
InChI Key: | CWWIHXBPWBQZNC-UHFFFAOYSA-N |
Complexity: | 249 |
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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