| CAS Number | 1313761-41-9 |
| Catalog Number | AG01AHPK |
| Chemical Name | B-[2-(2-Phenylethoxy)phenyl]boronic acid
|
| IUPAC Name | [2-(2-phenylethoxy)phenyl]boronic acid |
| InChI | InChI=1S/C14H15BO3/c16-15(17)13-8-4-5-9-14(13)18-11-10-12-6-2-1-3-7-12/h1-9,16-17H,10-11H2 |
| InChI Key | DSHRJFXNRCHYTE-UHFFFAOYSA-N |
| MDL Number | MFCD19301936 |
| Molecular Formula | C14H15BO3 |
| Molecular Weight | 242.0781 |
| SMILES | B(O)(O)c1c(OCCc2ccccc2)cccc1 |
| Synonyms | [2-(2-phenylethoxy)phenyl]boronic acid,
1313761-41-9,
SCHEMBL2555989,
[2-(2-phenylethoxy)phenyl]boranediol,
ZINC169922418,
NE27706,
EN300-75416,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.081g/mol |
| Monoisotopic Mass | 242.111g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 49.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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