| CAS Number | 1311182-82-7 |
| Catalog Number | AG01FKZF(AGN-PC-3H4B0J) |
| Chemical Name | Boronic acid, B-[3-[(4-methylphenyl)methoxy]phenyl]- |
| IUPAC Name | [3-[(4-methylphenyl)methoxy]phenyl]boronic acid |
| InChI | InChI=1S/C14H15BO3/c1-11-5-7-12(8-6-11)10-18-14-4-2-3-13(9-14)15(16)17/h2-9,16-17H,10H2,1H3 |
| InChI Key | WZSJTVTUCVQERB-UHFFFAOYSA-N |
| MDL Number | MFCD11540659 |
| Molecular Formula | C14H15BO3 |
| Molecular Weight | 242.0781 |
| SMILES | OB(O)C1=CC=CC(OCC2=CC=C(C)C=C2)=C1 |
| Synonyms | 1311182-82-7,
AS-55514,
{3-[(4-methylphenyl)methoxy]phenyl}boronic acid,
Boronic acid, B-[3-[(4-methylphenyl)methoxy]phenyl]-,
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| Complexity | 239 |
| 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 | 4 |
| Topological Polar Surface Area | 49.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number