| CAS Number | 893739-69-0 |
| Catalog Number | AG00IFPI(AGN-PC-0WRA7Y) |
| Chemical Name | 2-Acetyl-3'-(benzyloxy)biphenyl |
| IUPAC Name | 1-[2-(3-phenylmethoxyphenyl)phenyl]ethanone |
| InChI | InChI=1S/C21H18O2/c1-16(22)20-12-5-6-13-21(20)18-10-7-11-19(14-18)23-15-17-8-3-2-4-9-17/h2-14H,15H2,1H3 |
| InChI Key | MZJKQWUMEKYECZ-UHFFFAOYSA-N |
| MDL Number | MFCD06802721 |
| Molecular Formula | C21H18O2 |
| Molecular Weight | 302.3664 |
| SMILES | C1(C=CC=CC=1C(C)=O)C1=CC=CC(=C1)OCC1C=CC=CC=1 |
| Synonyms | 893739-69-0,
2-Acetyl-3'-(benzyloxy)biphenyl,
1-[3'-(Benzyloxy)[1,1'-biphenyl]-2-yl]ethanone,
1-(3'-(Benzyloxy)-[1,1'-biphenyl]-2-yl)ethanone,
MFCD06802721,
ZINC16947993,
AKOS004118790,
BB 0223869,
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| Complexity | 372 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 302.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 302.373g/mol |
| Monoisotopic Mass | 302.131g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
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Certificate of Analysis
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