| CAS Number | 893736-92-0 |
| Catalog Number | AG00694N(AGN-PC-0WA7IV) |
| Chemical Name | 3-(Benzyloxy)-2'-cyanobiphenyl |
| IUPAC Name | 2-(3-phenylmethoxyphenyl)benzonitrile |
| InChI | InChI=1S/C20H15NO/c21-14-18-9-4-5-12-20(18)17-10-6-11-19(13-17)22-15-16-7-2-1-3-8-16/h1-13H,15H2 |
| InChI Key | QUVXASRYRVROFF-UHFFFAOYSA-N |
| MDL Number | MFCD06802288 |
| Molecular Formula | C20H15NO |
| Molecular Weight | 285.3392 |
| SMILES | N#CC1C=CC=CC=1C1=CC=CC(=C1)OCC1C=CC=CC=1 |
| Synonyms | 3-(Benzyloxy)-2'-cyanobiphenyl,
893736-92-0,
3'-(Benzyloxy)[1,1'-biphenyl]-2-carbonitrile,
ACMC-209r0i,
CTK8B2621,
DTXSID50602457,
ANW-39280,
MFCD06802288,
ZINC16946942,
AKOS004116236,
TC-128025,
BB 0223339,
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| Complexity | 378 |
| 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 | 4.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number