Quinoline-7-boronic Acid - CAS 629644-82-2

Catalog:	BB031903
Product Name:	Quinoline-7-boronic Acid
CAS:	629644-82-2
Synonyms:	7-quinolinylboronic acid; quinolin-7-ylboronic acid

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Computed Properties

IUPAC Name:	quinolin-7-ylboronic acid
Description:	Quinoline-7-boronic Acid (CAS# 629644-82-2) is a useful research chemical compound.
Molecular Weight:	172.98
Molecular Formula:	C9H8NO2B
Canonical SMILES:	B(C1=CC2=C(C=CC=N2)C=C1)(O)O
InChI:	InChI=1S/C9H8BNO2/c12-10(13)8-4-3-7-2-1-5-11-9(7)6-8/h1-6,12-13H
InChI Key:	ZMEMBOIUHLWVRX-UHFFFAOYSA-N
LogP:	-0.08540

Publication Number	Title	Priority Date
KR-20200067064-A	Organic compound and organic electroluminescent device comprising the same	20181203
WO-2020116875-A1	Organic compound and organic electroluminescent element comprising same	20181203
WO-2020087202-A1	3-(1h-pyrazol-4-yl)pyridine allosteric modulators of m4 muscarinic acetylcholine receptor	20181029
WO-2020092102-A2	3-(1h-pyrazol-4-yl)pyridine allosteric modulators of the m4 muscarinic acetylcholine receptor	20181029
EP-3873467-A2	3-(1h-pyrazol-4-yl)pyridine allosteric modulators of the m4 muscarinic acetylcholine receptor	20181029

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, 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