2-(Ethylsulfonyl)phenylboronic Acid - CAS 1042443-60-6

Catalog:	BB001363
Product Name:	2-(Ethylsulfonyl)phenylboronic Acid
CAS:	1042443-60-6
Synonyms:	(2-ethylsulfonylphenyl)boronic acid; (2-ethylsulfonylphenyl)boronic acid

Technical Data

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Computed Properties

IUPAC Name:	(2-ethylsulfonylphenyl)boronic acid
Description:	2-(Ethylsulfonyl)phenylboronic Acid (CAS# 1042443-60-6) is a useful research chemical.
Molecular Weight:	214.05
Molecular Formula:	C8H11O4SB
Canonical SMILES:	B(C1=CC=CC=C1S(=O)(=O)CC)(O)O
InChI:	InChI=1S/C8H11BO4S/c1-2-14(12,13)8-6-4-3-5-7(8)9(10)11/h3-6,10-11H,2H2,1H3
InChI Key:	GNCPGKLAKBQXAU-UHFFFAOYSA-N
Boiling Point:	468.424 °C at 760 mmHg
Density:	1.341 g/cm³
Appearance:	Solid
Storage:	Sealed in dry, 2-8 °C
LogP:	0.24080

Publication Number	Title	Priority Date
US-2021115049-A1	Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (usp1) inhibitors	20181220
DE-102017005091-A1	Substituted 3,4-dihydropyrido [2,3-b] pyrazine-2 (1H) -one	20160530
JP-2016056131-A	Method for producing carbon-carbon coupling product using solid catalyst	20140910
AU-2012225805-A1	MST1 kinase inhibitors and methods of their use	20110304
WO-2012037108-A1	Aminoquinoline derivatives as antiviral agents	20100913

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Complexity:	270
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	214.0471102
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	214.0471102
Rotatable Bond Count:	3
Topological Polar Surface Area:	83
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0