| CAS Number | 1610733-46-4 |
| Catalog Number | AG01FPKH(AGN-PC-3H5P0B) |
| Chemical Name | Boronic acid, B-[4-(4-morpholinyl)-3-nitrophenyl]- |
| IUPAC Name | (4-morpholin-4-yl-3-nitrophenyl)boronic acid |
| InChI | InChI=1S/C10H13BN2O5/c14-11(15)8-1-2-9(10(7-8)13(16)17)12-3-5-18-6-4-12/h1-2,7,14-15H,3-6H2 |
| InChI Key | VZRXGCBGMSVHNI-UHFFFAOYSA-N |
| MDL Number | MFCD28901552 |
| Molecular Formula | C10H13BN2O5 |
| Molecular Weight | 252.0316 |
| SMILES | O1CCN(CC1)C1=C(C=C(C=C1)B(O)O)[N+](=O)[O-] |
| Synonyms | AS-68361,
[4-(morpholin-4-yl)-3-nitrophenyl]boronic acid,
1610733-46-4,
|
| Complexity | 293 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.091752g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.03g/mol |
| Monoisotopic Mass | 252.091752g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 98.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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