Pyridazine-4-boronic Acid Pinacol Ester - CAS 863422-41-7
Catalog: |
BB037896 |
Product Name: |
Pyridazine-4-boronic Acid Pinacol Ester |
CAS: |
863422-41-7 |
Synonyms: |
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridazine; 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridazine |
IUPAC Name: | 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridazine |
Description: | Pyridazine-4-boronic Acid Pinacol Ester (CAS# 863422-41-7) is a useful research chemical. |
Molecular Weight: | 206.05 |
Molecular Formula: | C10H15N2O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN=NC=C2 |
InChI: | InChI=1S/C10H15BN2O2/c1-9(2)10(3,4)15-11(14-9)8-5-6-12-13-7-8/h5-7H,1-4H3 |
InChI Key: | GVGODOIZAKSPFC-UHFFFAOYSA-N |
Boiling Point: | 347.617 °C at 760 mmHg |
Density: | 1.078 g/cm3 |
Appearance: | Solid |
MDL: | MFCD09952053 |
LogP: | 0.77580 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021139517-A1 | Bicyclic heteroaryl compounds and uses thereof | 20191108 |
WO-2021092115-A1 | Bicyclic heteroaryl compounds and uses thereof | 20191108 |
US-2021078999-A1 | Plasma kallikrein inhibitors and uses thereof | 20190918 |
WO-2021055621-A1 | Plasma kallikrein inhibitors and uses thereof | 20190918 |
WO-2020236688-A1 | Natriuretic peptide receptor a agonists useful for the treatment of cardiometabolic diseases, kidney disease and diabetes | 20190522 |
Complexity: | 230 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.1226579 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.1226579 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 44.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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