3-[4-(Benzyloxy)phenyl]benzonitrile - CAS 893736-83-9
Catalog: |
BB073453 |
Product Name: |
3-[4-(Benzyloxy)phenyl]benzonitrile |
CAS: |
893736-83-9 |
Synonyms: |
3-[4-(Benzyloxy)phenyl]benzonitrile; 3-(4-phenylmethoxyphenyl)benzonitrile; 4'-(Benzyloxy)[1,1'-biphenyl]-3-carbonitrile |
IUPAC Name: | 3-(4-phenylmethoxyphenyl)benzonitrile |
Description: | 3-[4-(Benzyloxy)phenyl]benzonitrile |
Molecular Weight: | 285.34 |
Molecular Formula: | C20H15NO |
Canonical SMILES: | C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=CC=CC(=C3)C#N |
InChI: | InChI=1S/C20H15NO/c21-14-17-7-4-8-19(13-17)18-9-11-20(12-10-18)22-15-16-5-2-1-3-6-16/h1-13H,15H2 |
InChI Key: | KSEFXTUDRJYZAY-UHFFFAOYSA-N |
Complexity: | 370 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 285.115364102 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 285.115364102 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 33Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.7 |
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