2-Methoxy-5-nitropyridine-3-boronic Acid Pinacol Ester - CAS 1218791-18-4
Catalog: |
BB005284 |
Product Name: |
2-Methoxy-5-nitropyridine-3-boronic Acid Pinacol Ester |
CAS: |
1218791-18-4 |
Synonyms: |
2-methoxy-5-nitro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 2-methoxy-5-nitro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
IUPAC Name: | 2-methoxy-5-nitro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
Description: | 2-Methoxy-5-nitropyridine-3-boronic Acid Pinacol Ester (CAS# 1218791-18-4) is a useful research chemical compound. |
Molecular Weight: | 280.08 |
Molecular Formula: | C12H17N2O5B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2OC)[N+](=O)[O-] |
InChI: | InChI=1S/C12H17BN2O5/c1-11(2)12(3,4)20-13(19-11)9-6-8(15(16)17)7-14-10(9)18-5/h6-7H,1-5H3 |
InChI Key: | LNHXXIMEAIRKDX-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD08063082 |
LogP: | 1.82080 |
Complexity: | 369 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 280.1230518 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 280.1230518 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 86.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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