| CAS Number | 1488411-05-7 |
| Catalog Number | AG00HXNT(AGN-PC-0WQZRF) |
| Chemical Name | 4-Cyano-3-morpholinophenylboronic acid pinacol ester |
| IUPAC Name | 2-morpholin-4-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
| InChI | InChI=1S/C17H23BN2O3/c1-16(2)17(3,4)23-18(22-16)14-6-5-13(12-19)15(11-14)20-7-9-21-10-8-20/h5-6,11H,7-10H2,1-4H3 |
| InChI Key | DZIOXQUWUAJDAC-UHFFFAOYSA-N |
| MDL Number | MFCD16038660 |
| Molecular Formula | C17H23BN2O3 |
| Molecular Weight | 314.1871 |
| SMILES | N#Cc1ccc(cc1N1CCOCC1)B1OC(C(O1)(C)C)(C)C |
| Synonyms | 1488411-05-7,
4-Cyano-3-morpholinophenylboronic acid pinacol ester,
2-Morpholino-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile,
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| Complexity | 466 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 314.18g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 314.192g/mol |
| Monoisotopic Mass | 314.18g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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