(4-fluorobenzo[d][1,3]dioxol-5-yl)boronic acid - CAS 943830-75-9

Name: (4-fluorobenzo[d][1,3]dioxol-5-yl)boronic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

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

Technical Data

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