4-(Morpholinosulfonyl)phenylboronic Acid - CAS 486422-68-8

Catalog:	BB026572
Product Name:	4-(Morpholinosulfonyl)phenylboronic Acid
CAS:	486422-68-8
Synonyms:	[4-(4-morpholinylsulfonyl)phenyl]boronic acid; (4-morpholin-4-ylsulfonylphenyl)boronic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(4-morpholin-4-ylsulfonylphenyl)boronic acid
Description:	4-(Morpholinosulfonyl)phenylboronic Acid (CAS# 486422-68-8) is a useful research chemical compound.
Molecular Weight:	271.10
Molecular Formula:	C10H14NO5SB
Canonical SMILES:	B(C1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)(O)O
InChI:	InChI=1S/C10H14BNO5S/c13-11(14)9-1-3-10(4-2-9)18(15,16)12-5-7-17-8-6-12/h1-4,13-14H,5-8H2
InChI Key:	BRRALDPVXKGEEE-UHFFFAOYSA-N
Boiling Point:	494.9 ℃ at 760 mmHg
Density:	1.45 g/cm³
Appearance:	Solid
LogP:	-0.59400

Publication Number	Title	Priority Date
AU-2018318692-A1	Macrocyclic MCL-1 inhibitors and methods of use	20170815
EP-3668502-A1	Macrocyclic mcl-1 inhibitors and methods of use	20170815
WO-2019035927-A1	MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE	20170815
BR-112020003200-A2	macrocyclic mcl-1 inhibitors and methods of use	20170815
JP-2020531457-A	Macrocyclic MCL-1 inhibitor and method of use	20170815

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Related Functional Groups

Boronic Acids and Esters

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[2005430-90-8]
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Indole-4-boronic Acid Pinacol Ester

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:	355
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	271.0685739
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	271.0685739
Rotatable Bond Count:	3
Topological Polar Surface Area:	95.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0