| CAS Number | 2096330-23-1 |
| Catalog Number | AG01EHIE |
| Chemical Name | 3-Formyl-4-morpholinophenylboronic acid, pinacol ester |
| IUPAC Name | 2-morpholin-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde |
| InChI | InChI=1S/C17H24BNO4/c1-16(2)17(3,4)23-18(22-16)14-5-6-15(13(11-14)12-20)19-7-9-21-10-8-19/h5-6,11-12H,7-10H2,1-4H3 |
| InChI Key | AHJDNKARIRRHCH-UHFFFAOYSA-N |
| MDL Number | MFCD21333040 |
| Molecular Formula | C17H24BNO4 |
| Molecular Weight | 317.1878 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)c2ccc(c(c2)C=O)N3CCOCC3 |
| Synonyms | 3-Formyl-4-morpholinophenylboronic acid, pinacol ester,
2096330-23-1,
2-Morpholino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde,
MFCD21333040,
AKOS027352994,
ZINC169965071,
B-9573,
|
| Complexity | 420 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 317.18g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 317.192g/mol |
| Monoisotopic Mass | 317.18g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 48A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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