1-Boc-1H-pyrrole-3-boronic Acid - CAS 832697-40-2

Catalog:	BB037002
Product Name:	1-Boc-1H-pyrrole-3-boronic Acid
CAS:	832697-40-2
Synonyms:	[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-pyrrolyl]boronic acid; [1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-3-yl]boronic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-3-yl]boronic acid
Description:	1-Boc-1H-pyrrole-3-boronic Acid (CAS# 832697-40-2) is a useful research chemical.
Molecular Weight:	211.02
Molecular Formula:	C9H14NO4B
Canonical SMILES:	B(C1=CN(C=C1)C(=O)OC(C)(C)C)(O)O
InChI:	InChI=1S/C9H14BNO4/c1-9(2,3)15-8(12)11-5-4-7(6-11)10(13)14/h4-6,13-14H,1-3H3
InChI Key:	JTFQDOHHXGSMFC-UHFFFAOYSA-N
LogP:	-0.04890

Publication Number	Title	Priority Date
WO-2020221380-A1	Selective ligands of human constitutive androstane receptor	20190430
CN-108169409-B	Method for detecting content of monomer and trimer in organic boric acid	20171217
EP-2558577-A1	Bi-functional complexes and methods for making and using such complexes	20100416
US-2013281324-A1	Bi-functinal complexes and methods for making and using such complexes	20100416
WO-2011127933-A1	Bi-functional complexes and methods for making and using such complexes	20100416

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Related Functional Groups

Boronic Acids and Esters

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Complexity:	239
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	211.1015881
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	211.1015881
Rotatable Bond Count:	3
Topological Polar Surface Area:	71.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0