Benzofuran-5-boronic Acid - CAS 331834-13-0

Catalog:	BB021593
Product Name:	Benzofuran-5-boronic Acid
CAS:	331834-13-0
Synonyms:	5-benzofuranylboronic acid; 1-benzofuran-5-ylboronic acid

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Computed Properties

IUPAC Name:	1-benzofuran-5-ylboronic acid
Description:	Benzofuran-5-boronic Acid (CAS# 331834-13-0) is a useful research chemical.
Molecular Weight:	161.95
Molecular Formula:	C8H7O3B
Canonical SMILES:	B(C1=CC2=C(C=C1)OC=C2)(O)O
InChI:	InChI=1S/C8H7BO3/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-5,10-11H
InChI Key:	WYXQQAYIAJRORT-UHFFFAOYSA-N
Boiling Point:	340.4 °C at 760 mmHg
Density:	1.31 g/cm³
Appearance:	Solid
LogP:	0.11260

Publication Number	Title	Priority Date
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WO-2021080015-A1	Modulators of trek (twik related k+ channels) channel function	20191024
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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	162
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	162.0488242
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	162.0488242
Rotatable Bond Count:	1
Topological Polar Surface Area:	53.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0