Benzofuran-3-boronic Acid - CAS 317830-83-4

Catalog:	BB021058
Product Name:	Benzofuran-3-boronic Acid
CAS:	317830-83-4
Synonyms:	3-benzofuranylboronic acid; 1-benzofuran-3-ylboronic acid

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Computed Properties

IUPAC Name:	1-benzofuran-3-ylboronic acid
Description:	Benzofuran-3-boronic Acid (CAS# 317830-83-4) is a useful research chemical.
Molecular Weight:	161.95
Molecular Formula:	C8H7O3B
Canonical SMILES:	B(C1=COC2=CC=CC=C12)(O)O
InChI:	InChI=1S/C8H7BO3/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h1-5,10-11H
InChI Key:	DFUGYZQSDFQVPU-UHFFFAOYSA-N
Boiling Point:	340.433 °C at 760 mmHg
Density:	1.311 g/cm³
LogP:	0.11260

Publication Number	Title	Priority Date
CN-112574242-A	Preparation method of benzo-heterocycle-3-boric acid	20201210
CN-112341465-A	Novel polyheterocyclic compound and application thereof	20201030
CN-112266387-A	Benzophenanthrene derivative and application thereof	20201029
EP-3851443-A1	Organometallic compound, organic light-emitting device including organometallic compound, and electronic apparatus including organic light-emitting device	20200120
JP-2021113189-A	Organometallic compounds and organic light emitting devices containing them and electronic devices including organic light emitting devices	20200120

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
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