| CAS Number | 1029439-94-8 |
| Catalog Number | AG01AHNI |
| Chemical Name | [3-(2-Phenylethoxy)phenyl]boronic acid |
| IUPAC Name | [3-(2-phenylethoxy)phenyl]boronic acid |
| InChI | InChI=1S/C14H15BO3/c16-15(17)13-7-4-8-14(11-13)18-10-9-12-5-2-1-3-6-12/h1-8,11,16-17H,9-10H2 |
| InChI Key | ZAAIGKIEQCTAJN-UHFFFAOYSA-N |
| MDL Number | MFCD11540660 |
| Molecular Formula | C14H15BO3 |
| Molecular Weight | 242.0781 |
| SMILES | OB(C1=CC(OCCC2=CC=CC=C2)=CC=C1)O |
| Synonyms | [3-(2-phenylethoxy)phenyl]boronic acid,
1029439-94-8,
SCHEMBL257658,
[3-(2-phenylethoxy)phenyl]boranediol,
ZINC169922494,
NE18022,
EN300-75267,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number