| CAS Number | 1029438-85-4 |
| Catalog Number | AG00949L(AGN-PC-0WR9ZV) |
| Chemical Name | [4-(4-Aminophenoxy)phenyl]boronic acid |
| IUPAC Name | [4-(4-aminophenoxy)phenyl]boronic acid |
| InChI | InChI=1S/C12H12BNO3/c14-10-3-7-12(8-4-10)17-11-5-1-9(2-6-11)13(15)16/h1-8,15-16H,14H2 |
| InChI Key | OJYDRVLROUIMPV-UHFFFAOYSA-N |
| MDL Number | MFCD22192392 |
| Molecular Formula | C12H12BNO3 |
| Molecular Weight | 229.0396 |
| SMILES | Nc1ccc(cc1)Oc1ccc(cc1)B(O)O |
| Synonyms | [4-(4-aminophenoxy)phenyl]boronic acid,
1029438-85-4,
SCHEMBL12031580,
KM3628,
MFCD22192392,
AKOS025312409,
ZINC169977888,
OR360656,
Z6567,
C12H12BNO3,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.042g/mol |
| Monoisotopic Mass | 229.091g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 75.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number