3-(N-Isopropylsulfamoyl)phenylboronic Acid - CAS 871329-77-0

Catalog:	BB038291
Product Name:	3-(N-Isopropylsulfamoyl)phenylboronic Acid
CAS:	871329-77-0
Synonyms:	[3-(propan-2-ylsulfamoyl)phenyl]boronic acid; [3-(propan-2-ylsulfamoyl)phenyl]boronic acid

Technical Data

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Computed Properties

IUPAC Name:	[3-(propan-2-ylsulfamoyl)phenyl]boronic acid
Description:	3-(N-Isopropylsulfamoyl)phenylboronic Acid (CAS# 871329-77-0) is a useful research chemical.
Molecular Weight:	243.09
Molecular Formula:	C9H14NO4SB
Canonical SMILES:	B(C1=CC(=CC=C1)S(=O)(=O)NC(C)C)(O)O
InChI:	InChI=1S/C9H14BNO4S/c1-7(2)11-16(14,15)9-5-3-4-8(6-9)10(12)13/h3-7,11-13H,1-2H3
InChI Key:	KCJMBNYQVZPTRG-UHFFFAOYSA-N
LogP:	0.52480

Publication Number	Title	Priority Date
WO-2013154878-A1	Heterocyclic compounds and uses thereof	20120410
CA-2827770-A1	N-substituted oxazinopteridines and oxazinopteridinones	20110225
EP-2678342-A1	N-substituted oxazinopteridines and oxazinopteridinones	20110225
EP-2678342-B1	N-substituted oxazinopteridines and oxazinopteridinones	20110225
ES-2533042-T3	N-substituted oxazinopteridines and N-substituted oxazinopteridinones	20110225

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Complexity:	312
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	243.0736593
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	243.0736593
Rotatable Bond Count:	4
Topological Polar Surface Area:	95
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0