| CAS Number | 1428323-97-0 |
| Catalog Number | AG00HWP3(AGN-PC-0WQZ6Q) |
| Chemical Name | [3-Cyano-4-(morpholin-4-yl)phenyl]boronic acid |
| IUPAC Name | (3-cyano-4-morpholin-4-ylphenyl)boronic acid |
| InChI | InChI=1S/C11H13BN2O3/c13-8-9-7-10(12(15)16)1-2-11(9)14-3-5-17-6-4-14/h1-2,7,15-16H,3-6H2 |
| InChI Key | LVFMJSMMUCOKOR-UHFFFAOYSA-N |
| MDL Number | MFCD27935739 |
| Molecular Formula | C11H13BN2O3 |
| Molecular Weight | 232.0435 |
| SMILES | N#Cc1cc(ccc1N1CCOCC1)B(O)O |
| Synonyms | [3-Cyano-4-(morpholin-4-yl)phenyl]boronic acid,
1428323-97-0,
B-[3-cyano-4-(4-morpholinyl)phenyl]Boronic acid,
MFCD27935739,
ZINC170001824,
FT-0705503,
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| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.102g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.046g/mol |
| Monoisotopic Mass | 232.102g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 76.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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