| CAS Number | 1416252-21-5 |
| Catalog Number | AG00HW4D(AGN-PC-0WQZ7V) |
| Chemical Name | 4-(4-Formylphenoxy)phenylboronic acid |
| IUPAC Name | [4-(4-formylphenoxy)phenyl]boronic acid |
| InChI | InChI=1S/C13H11BO4/c15-9-10-1-5-12(6-2-10)18-13-7-3-11(4-8-13)14(16)17/h1-9,16-17H |
| InChI Key | XEBLMRMYVGRDAD-UHFFFAOYSA-N |
| MDL Number | MFCD29047677 |
| Molecular Formula | C13H11BO4 |
| Molecular Weight | 242.0350 |
| SMILES | O=Cc1ccc(cc1)Oc1ccc(cc1)B(O)O |
| Synonyms | 4-(4-Formylphenoxy)phenylboronic acid,
1416252-21-5,
|
| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.037g/mol |
| Monoisotopic Mass | 242.075g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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