8-Methyl-5-quinolineboronic Acid - CAS 1025010-58-5

Catalog:	BB000866
Product Name:	8-Methyl-5-quinolineboronic Acid
CAS:	1025010-58-5
Synonyms:	(8-methyl-5-quinolinyl)boronic acid; (8-methylquinolin-5-yl)boronic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	(8-methylquinolin-5-yl)boronic acid
Description:	8-Methyl-5-quinolineboronic Acid (CAS# 1025010-58-5) is a useful research chemical.
Molecular Weight:	187.00
Molecular Formula:	C10H10NO2B
Canonical SMILES:	B(C1=C2C=CC=NC2=C(C=C1)C)(O)O
InChI:	InChI=1S/C10H10BNO2/c1-7-4-5-9(11(13)14)8-3-2-6-12-10(7)8/h2-6,13-14H,1H3
InChI Key:	IFARJKOFXMGAPR-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
MDL:	MFCD05256435
LogP:	0.22300

Publication Number	Title	Priority Date
CN-111886227-A	Novel aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions containing them	20180321
WO-2014056446-A1	Phenyl 1,2-isoxazolyl or phenyl 1,2-pyrazole compound and application thereof	20121011
AU-2013267204-A1	Tetrahydropyrazolopyrimidine compounds	20120531
AU-2013267204-B2	Tetrahydropyrazolopyrimidine compounds	20120531
AU-2013267204-B8	Tetrahydropyrazolopyrimidine compounds	20120531

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Complexity:	201
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	187.0804587
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	187.0804587
Rotatable Bond Count:	1
Topological Polar Surface Area:	53.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0