| CAS Number | 1313760-38-1 |
| Catalog Number | AG01FKZC(AGN-PC-3H4B0H) |
| Chemical Name | Boronic acid, B-[3-[[4-(1,1-dimethylethyl)phenyl]methoxy]phenyl]- |
| IUPAC Name | [3-[(4-tert-butylphenyl)methoxy]phenyl]boronic acid |
| InChI | InChI=1S/C17H21BO3/c1-17(2,3)14-9-7-13(8-10-14)12-21-16-6-4-5-15(11-16)18(19)20/h4-11,19-20H,12H2,1-3H3 |
| InChI Key | VVAMKIHTHYBXQU-UHFFFAOYSA-N |
| MDL Number | MFCD13655833 |
| Molecular Formula | C17H21BO3 |
| Molecular Weight | 284.1578 |
| SMILES | CC(C1=CC=C(COC2=CC(B(O)O)=CC=C2)C=C1)(C)C |
| Synonyms | 1313760-38-1,
AS-55519,
{3-[(4-tert-butylphenyl)methoxy]phenyl}boronic acid,
Boronic acid, B-[3-[[4-(1,1-dimethylethyl)phenyl]methoxy]phenyl]-,
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| Complexity | 306 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.162g/mol |
| Monoisotopic Mass | 284.158g/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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Certificate of Analysis
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