(4-fluorobenzo[d][1,3]dioxol-5-yl)boronic acid - CAS 943830-75-9
Catalog: |
BB041288 |
Product Name: |
(4-fluorobenzo[d][1,3]dioxol-5-yl)boronic acid |
CAS: |
943830-75-9 |
Synonyms: |
(4-fluoro-1,3-benzodioxol-5-yl)boronic acid; (4-fluoro-1,3-benzodioxol-5-yl)boronic acid |
IUPAC Name: | (4-fluoro-1,3-benzodioxol-5-yl)boronic acid |
Description: | (4-fluorobenzo[d][1,3]dioxol-5-yl)boronic acid (CAS# 943830-75-9) is used in the synthetic preparation of potent and selective small molecule inhibitors of specific isoforms of Cdc2-like kinases (Clk) and dual specificity tyrosine-phosphorylation-regulated kinases (Dyrk). |
Molecular Weight: | 183.929 |
Molecular Formula: | C7H6BFO4 |
Canonical SMILES: | B(C1=C(C2=C(C=C1)OCO2)F)(O)O |
InChI: | InChI=1S/C7H6BFO4/c9-6-4(8(10)11)1-2-5-7(6)13-3-12-5/h1-2,10-11H,3H2 |
InChI Key: | IIUUBGPDUHFEQA-UHFFFAOYSA-N |
LogP: | -0.76580 |
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-2020165249-A1 | Functionalized heterocycles as antiviral agents | 20181121 |
KR-20210093951-A | Functionalized Heterocycles as Antiviral Agents | 20181121 |
EP-2558577-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
WO-2011127933-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
AU-2007204825-A1 | 6-(poly-substituted aryl)-4-aminopicolinates and their use as herbicides | 20060113 |
Complexity: | 191 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.0343170 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.0343170 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 58.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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