| CAS Number | 1101866-02-7 |
| Catalog Number | AG00HBOV(AGN-PC-0WRA74) |
| Chemical Name | 4-(3-Formylphenyl)phenylboronic acid |
| IUPAC Name | [4-(3-formylphenyl)phenyl]boronic acid |
| InChI | InChI=1S/C13H11BO3/c15-9-10-2-1-3-12(8-10)11-4-6-13(7-5-11)14(16)17/h1-9,16-17H |
| InChI Key | POFFFXSVUBIUPB-UHFFFAOYSA-N |
| MDL Number | MFCD08701745 |
| Molecular Formula | C13H11BO3 |
| Molecular Weight | 226.0356 |
| SMILES | O=Cc1cccc(c1)c1ccc(cc1)B(O)O |
| Synonyms | 4-(3-FORMYLPHENYL)PHENYLBORONIC ACID,
1101866-02-7,
SCHEMBL15987214,
MFCD08701745,
AKOS004114046,
ZINC169844729,
OR361238,
K-0677,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.038g/mol |
| Monoisotopic Mass | 226.08g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number