5-Acetamido-2-methoxyphenylboronic Acid - CAS 1137339-99-1

Catalog:	BB003213
Product Name:	5-Acetamido-2-methoxyphenylboronic Acid
CAS:	1137339-99-1
Synonyms:	(5-acetamido-2-methoxyphenyl)boronic acid; (5-acetamido-2-methoxyphenyl)boronic acid

Technical Data

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Computed Properties

IUPAC Name:	(5-acetamido-2-methoxyphenyl)boronic acid
Description:	5-Acetamido-2-methoxyphenylboronic Acid (CAS# 1137339-99-1 ) is a useful research chemical.
Molecular Weight:	209.01
Molecular Formula:	C9H12NO4B
Canonical SMILES:	B(C1=C(C=CC(=C1)NC(=O)C)OC)(O)O
InChI:	InChI=1S/C9H12BNO4/c1-6(12)11-7-3-4-9(15-2)8(5-7)10(13)14/h3-5,13-14H,1-2H3,(H,11,12)
InChI Key:	XSPLOLPFXRODNU-UHFFFAOYSA-N

Publication Number	Title	Priority Date
EP-3350187-A1	Substituted isoxazolopyridazinones and isothiazolopyridazinones and methods of use	20150915
US-10556914-B2	Substituted isoxazolopyridazinones and isothiazolopyridazinones and methods of use	20150915
US-2017073353-A1	Substituted isoxazolopyridazinones and isothiazolopyridazinones and methods of use	20150915
US-2019367531-A1	Substituted isoxazolopyridazinones and isothiazolopyridazinones and methods of use	20150915
WO-2017046117-A1	Substituted isoxazolopyridazinones and isothiazolopyridazinones and methods of use	20150915

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Complexity:	224
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	209.085938
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	209.085938
Rotatable Bond Count:	3
Topological Polar Surface Area:	78.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0