4-[4-(Trifluoromethoxy)phenyl]benzonitrile
Catalog: |
BB057007 |
Product Name: |
4-[4-(Trifluoromethoxy)phenyl]benzonitrile |
Synonyms: |
4-[4-(Trifluoromethoxy)phenyl]benzonitrile; 4'-(Trifluoromethoxy)-[1,1'-biphenyl]-4-carbonitrile; 4-CYANO-4'-TRIFLUOROMETHOXYDIPHENYL; 4-(4-trifluoromethoxyphenyl)benzonitrile |
IUPAC Name: | 4-[4-(trifluoromethoxy)phenyl]benzonitrile |
Description: | 4-[4-(Trifluoromethoxy)phenyl]benzonitrile (cas# 157788-40-4) is a useful research chemical. |
Molecular Weight: | 263.21 |
Molecular Formula: | C14H8NOF3 |
Canonical SMILES: | C1=CC(=CC=C1C#N)C2=CC=C(C=C2)OC(F)(F)F |
InChI: | InChI=1S/C14H8F3NO/c15-14(16,17)19-13-7-5-12(6-8-13)11-3-1-10(9-18)2-4-11/h1-8H |
InChI Key: | LDJNMSJDSXDKEN-UHFFFAOYSA-N |
Complexity: | 330 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 263.05579836 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 263.05579836 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 33Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.4 |
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