| CAS Number | 1311163-93-5 |
| Catalog Number | AG01FPD9(AGN-PC-3H5ON5) |
| Chemical Name | 2-(3-methylbenzyloxy)phenylboronic acid |
| IUPAC Name | [2-[(3-methylphenyl)methoxy]phenyl]boronic acid |
| InChI | InChI=1S/C14H15BO3/c1-11-5-4-6-12(9-11)10-18-14-8-3-2-7-13(14)15(16)17/h2-9,16-17H,10H2,1H3 |
| InChI Key | QYZHCROTEXJECX-UHFFFAOYSA-N |
| MDL Number | MFCD11540645 |
| Molecular Formula | C14H15BO3 |
| Molecular Weight | 242.0781 |
| SMILES | CC1=CC(COC2=CC=CC=C2B(O)O)=CC=C1 |
| Synonyms | 1311163-93-5,
AS-63947,
{2-[(3-methylphenyl)methoxy]phenyl}boronic acid,
(2-[(3-methylphenyl)methoxy]phenyl)boronic acid,
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| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.111424g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.08g/mol |
| Monoisotopic Mass | 242.111424g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.7Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number