4-[N-(2-Hydroxyethyl)sulfamoyl]phenylboronic Acid - CAS 850568-77-3

Catalog:	BB037441
Product Name:	4-[N-(2-Hydroxyethyl)sulfamoyl]phenylboronic Acid
CAS:	850568-77-3
Synonyms:	[4-(2-hydroxyethylsulfamoyl)phenyl]boronic acid; [4-(2-hydroxyethylsulfamoyl)phenyl]boronic acid

Technical Data

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Computed Properties

IUPAC Name:	[4-(2-hydroxyethylsulfamoyl)phenyl]boronic acid
Description:	4-[N-(2-Hydroxyethyl)sulfamoyl]phenylboronic Acid (CAS# 850568-77-3) is a useful research chemical.
Molecular Weight:	245.06
Molecular Formula:	C8H12NO5SB
Canonical SMILES:	B(C1=CC=C(C=C1)S(=O)(=O)NCCO)(O)O
InChI:	InChI=1S/C8H12BNO5S/c11-6-5-10-16(14,15)8-3-1-7(2-4-8)9(12)13/h1-4,10-13H,5-6H2
InChI Key:	OQYVRTONAFVNJR-UHFFFAOYSA-N
Boiling Point:	500.2 °C at 760 mmHg
Density:	1.48 g/cm³
LogP:	-0.89130

Publication Number	Title	Priority Date
WO-2021074281-A1	Substituted azacyles as trmp8 modulators	20191017
AU-2016347456-A1	Peptide macrocycles against acinetobacter baumannii	20151027
AU-2016347456-B2	Peptide macrocycles against acinetobacter baumannii	20151027
EP-3368544-A1	Peptide macrocycles against acinetobacter baumannii	20151027
EP-3368544-B1	Peptide macrocycles against acinetobacter baumannii	20151027

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Complexity:	294
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	245.0529238
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	4
Isotope Atom Count:	0
Monoisotopic Mass:	245.0529238
Rotatable Bond Count:	5
Topological Polar Surface Area:	115
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0