| CAS Number | 1345472-18-5 |
| Catalog Number | AG0070D9(AGN-PC-0WRA3N) |
| Chemical Name | 1-[3-(Benzyloxy)phenyl]-4-methanesulfonylbenzene |
| IUPAC Name | 1-(4-methylsulfonylphenyl)-3-phenylmethoxybenzene |
| InChI | InChI=1S/C20H18O3S/c1-24(21,22)20-12-10-17(11-13-20)18-8-5-9-19(14-18)23-15-16-6-3-2-4-7-16/h2-14H,15H2,1H3 |
| InChI Key | VDMBFRIHHRJXOM-UHFFFAOYSA-N |
| MDL Number | MFCD20441885 |
| Molecular Formula | C20H18O3S |
| Molecular Weight | 338.4201 |
| SMILES | CS(=O)(=O)c1ccc(cc1)c1cccc(c1)OCc1ccccc1 |
| Synonyms | 1-[3-(Benzyloxy)phenyl]-4-methanesulfonylbenzene,
1345472-18-5,
ACMC-209bw1,
C20H18O3S,
CTK8B0260,
DTXSID20718413,
ANW-19679,
MFCD20441885,
ZINC74937869,
AKOS026672757,
TC-108424,
Z9806,
K-4254,
3-(Benzyloxy)-4'-(methanesulfonyl)-1,1'-biphenyl,
3-(Benzyloxy)-4/'-(methanesulfonyl)-1,1/'-biphenyl,
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| Complexity | 468 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 338.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 338.421g/mol |
| Monoisotopic Mass | 338.098g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number