Isoquinoline-6-boronic Acid - CAS 899438-92-7

Catalog:	BB039707
Product Name:	Isoquinoline-6-boronic Acid
CAS:	899438-92-7
Synonyms:	6-isoquinolinylboronic acid; isoquinolin-6-ylboronic acid

Technical Data

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Computed Properties

IUPAC Name:	isoquinolin-6-ylboronic acid
Description:	Isoquinoline-6-boronic Acid (CAS# 899438-92-7) is a useful research chemical.
Molecular Weight:	172.98
Molecular Formula:	C9H8NO2B
Canonical SMILES:	B(C1=CC2=C(C=C1)C=NC=C2)(O)O
InChI:	InChI=1S/C9H8BNO2/c12-10(13)9-2-1-8-6-11-4-3-7(8)5-9/h1-6,12-13H
InChI Key:	OBUOMTRFSCUDKS-UHFFFAOYSA-N
Boiling Point:	419.1 °C at 760 mmHg
Density:	1.28 g/cm³
LogP:	-0.08540

Publication Number	Title	Priority Date
CN-112409241-A	Organic compound, application thereof and organic electroluminescent device adopting organic compound	20201127
WO-2020257487-A1	Glycolate oxidase inhibitors for the treatment of disease	20190619
CN-111978317-A	Imidazopyridine MNK1/MNK2 kinase inhibitor and preparation method and application thereof	20190522
US-2019375753-A1	Pyrazolo-pyrimidin-amino-cycloalkyl compounds and their therapeutic uses	20180605
WO-2019236631-A1	Pyrazolo-pyrimidin-amino-cycloalkyl compounds and their therapeutic uses	20180605

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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:	177
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	173.0648087
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	173.0648087
Rotatable Bond Count:	1
Topological Polar Surface Area:	53.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0