| CAS Number | 2096329-77-8 |
| Catalog Number | AG01EHBA(AGN-PC-3H45GN) |
| Chemical Name | 5-Chloro-2-(morpholino)pyridine-3-boronic acid |
| IUPAC Name | (5-chloro-2-morpholin-4-ylpyridin-3-yl)boronic acid |
| InChI | InChI=1S/C9H12BClN2O3/c11-7-5-8(10(14)15)9(12-6-7)13-1-3-16-4-2-13/h5-6,14-15H,1-4H2 |
| InChI Key | FWGIXQYYIUKTKR-UHFFFAOYSA-N |
| MDL Number | MFCD20491432 |
| Molecular Formula | C9H12BClN2O3 |
| Molecular Weight | 242.4672 |
| SMILES | Clc1cnc(c(c1)B(O)O)N1CCOCC1 |
| Synonyms | 5-Chloro-2-(morpholino)pyridine-3-boronic acid,
2096329-77-8,
(5-Chloro-2-morpholinopyridin-3-yl)boronic acid,
MFCD20491432,
AKOS027340209,
ZINC169955671,
SC-54029,
Y2822,
B-9619,
C9H12BClN2O3,
N/A,
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| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.466g/mol |
| Monoisotopic Mass | 242.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 65.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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