| CAS Number | 893736-86-2 |
| Catalog Number | AG003XAX(AGN-PC-0WA95M) |
| Chemical Name | 4-(3-Benzyloxyphenyl)benzonitrile |
| IUPAC Name | 4-(3-phenylmethoxyphenyl)benzonitrile |
| InChI | InChI=1S/C20H15NO/c21-14-16-9-11-18(12-10-16)19-7-4-8-20(13-19)22-15-17-5-2-1-3-6-17/h1-13H,15H2 |
| InChI Key | NAXZRXQUOBFIIH-UHFFFAOYSA-N |
| MDL Number | MFCD06802286 |
| Molecular Formula | C20H15NO |
| Molecular Weight | 285.3392 |
| SMILES | N#CC1C=CC(=CC=1)C1=CC=CC(=C1)OCC1C=CC=CC=1 |
| Synonyms | 4-(3-Benzyloxyphenyl)benzonitrile,
893736-86-2,
3'-(Benzyloxy)[1,1'-biphenyl]-4-carbonitrile,
ACMC-209r0g,
CTK8B2619,
DTXSID30602455,
ANW-39278,
MFCD06802286,
ZINC16946937,
AKOS004116199,
TC-128023,
BB 0223337,
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| Complexity | 370 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.346g/mol |
| Monoisotopic Mass | 285.115g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.8 |
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Certificate of Analysis
Lot Number