3-(Methylsulfamoyl)phenylboronic Acid - CAS 871329-75-8

Catalog:	BB038290
Product Name:	3-(Methylsulfamoyl)phenylboronic Acid
CAS:	871329-75-8
Synonyms:	[3-(methylsulfamoyl)phenyl]boronic acid; [3-(methylsulfamoyl)phenyl]boronic acid

Technical Data

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Computed Properties

IUPAC Name:	[3-(methylsulfamoyl)phenyl]boronic acid
Description:	3-(Methylsulfamoyl)phenylboronic Acid (CAS# 871329-75-8) is a useful research chemical compound.
Molecular Weight:	215.03
Molecular Formula:	C7H10NO4SB
Canonical SMILES:	B(C1=CC(=CC=C1)S(=O)(=O)NC)(O)O
InChI:	InChI=1S/C7H10BNO4S/c1-9-14(12,13)7-4-2-3-6(5-7)8(10)11/h2-5,9-11H,1H3
InChI Key:	IUSXOPNERIFVRV-UHFFFAOYSA-N
Appearance:	Off-white solid
LogP:	-0.25380

Publication Number	Title	Priority Date
US-2021214366-A1	Bicyclic heterocycles as fgfr inhibitors	20200115
WO-2020242245-A1	Phthalazinone compounds and use thereof	20190529
US-2021269454-A1	Cycloalkane-1,3-diamine derivative	20181206
WO-2019173761-A1	C-abl tyrosine kinase inhibitory compound embodiments and methods of making and using the same	20180309
US-2021101872-A1	C-abl tyrosine kinase inhibitory compound embodiments and methods of making and using the same	20180309

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Complexity:	274
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
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0