4-(N-Methylsulfamoyl)phenylboronic Acid - CAS 226396-31-2

Catalog:	BB017693
Product Name:	4-(N-Methylsulfamoyl)phenylboronic Acid
CAS:	226396-31-2
Synonyms:	[4-(methylsulfamoyl)phenyl]boronic acid; [4-(methylsulfamoyl)phenyl]boronic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	[4-(methylsulfamoyl)phenyl]boronic acid
Description:	4-(N-Methylsulfamoyl)phenylboronic Acid (CAS# 226396-31-2) is a useful research chemical.
Molecular Weight:	215.03
Molecular Formula:	C7H10NO4SB
Canonical SMILES:	B(C1=CC=C(C=C1)S(=O)(=O)NC)(O)O
InChI:	InChI=1S/C7H10BNO4S/c1-9-14(12,13)7-4-2-6(3-5-7)8(10)11/h2-5,9-11H,1H3
InChI Key:	DOQOQZHSIBBHMY-UHFFFAOYSA-N
Boiling Point:	418.9 °C at 760 mmHg
Density:	1.42 g/cm³
Appearance:	White solid
LogP:	-0.25380

Publication Number	Title	Priority Date
US-2020397697-A1	Formulations of tie-2 activators and methods of use thereof	20190624
US-2020361939-A1	Modulators of alpha-1 antitrypsin	20190514
WO-2020157491-A1	G-a crosslinking cytotoxic agents	20190129
WO-2020023393-A1	Kinase antagonists and methods for making and using them	20180723
TW-202012410-A	Kinase antagonist and its preparation and use method	20180723

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Related Functional Groups

Boronic Acids and Esters

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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:	266
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	215.0423591
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	215.0423591
Rotatable Bond Count:	3
Topological Polar Surface Area:	95 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0