| CAS Number | 893736-89-5 |
| Catalog Number | AG003XAW(AGN-PC-0WA7X1) |
| Chemical Name | 3-[3-(Benzyloxy)phenyl]benzonitrile |
| IUPAC Name | 3-(3-phenylmethoxyphenyl)benzonitrile |
| InChI | InChI=1S/C20H15NO/c21-14-17-8-4-9-18(12-17)19-10-5-11-20(13-19)22-15-16-6-2-1-3-7-16/h1-13H,15H2 |
| InChI Key | CEAPVLJQBVTFMB-UHFFFAOYSA-N |
| MDL Number | MFCD06802287 |
| Molecular Formula | C20H15NO |
| Molecular Weight | 285.3392 |
| SMILES | N#CC1=CC=CC(C2=CC=CC(=C2)OCC2C=CC=CC=2)=C1 |
| Synonyms | 3-[3-(Benzyloxy)phenyl]benzonitrile,
893736-89-5,
3'-(Benzyloxy)[1,1'-biphenyl]-3-carbonitrile,
ACMC-209r0h,
SCHEMBL1171578,
CTK8B2620,
DTXSID90602456,
CEAPVLJQBVTFMB-UHFFFAOYSA-N,
3-(3-Benzyloxy-phenyl)benzonitrile,
ANW-39279,
MFCD06802287,
ZINC16946939,
AKOS004116235,
TC-128024,
BB 0223338,
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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