4'-(Pentyloxy)biphenyl-4-boronic Acid - CAS 158937-25-8

Catalog:	BB011474
Product Name:	4'-(Pentyloxy)biphenyl-4-boronic Acid
CAS:	158937-25-8
Synonyms:	[4-(4-pentoxyphenyl)phenyl]boronic acid; [4-(4-pentoxyphenyl)phenyl]boronic acid

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Computed Properties

IUPAC Name:	[4-(4-pentoxyphenyl)phenyl]boronic acid
Description:	4'-(Pentyloxy)biphenyl-4-boronic Acid (CAS# 158937-25-8) is a useful research chemical compound.
Molecular Weight:	284.16
Molecular Formula:	C17H21O3B
Canonical SMILES:	B(C1=CC=C(C=C1)C2=CC=C(C=C2)OCCCCC)(O)O
InChI:	InChI=1S/C17H21BO3/c1-2-3-4-13-21-17-11-7-15(8-12-17)14-5-9-16(10-6-14)18(19)20/h5-12,19-20H,2-4,13H2,1H3
InChI Key:	DBDYXLZXTNHAFI-UHFFFAOYSA-N
LogP:	2.60240

Publication Number	Title	Priority Date
CN-109574811-A	A kind of preparation method of anidulafungin side chain intermediate to amoxy terphenyl formic acid	20181122
WO-2019089638-A1	Organic ligands for templatable mesoscale nanocapsules	20171031
US-2021179939-A1	Organic Ligands For Templatable Mesoscale Nanocapsules	20171031
WO-2019079507-A1	SOLID FOAM INCORPORATING MESOGENIC LIGAND FUNCTIONALIZED NANOPARTICLES, METHODS OF MAKING AND USING SAME	20171018
US-2020239781-A1	Solid Foam Comprising Mesogenic Ligand-Functionalized Nanoparticles and Methods of Making and Using the Same	20171018

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Complexity:	269
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	284.1583747
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	284.1583747
Rotatable Bond Count:	7
Topological Polar Surface Area:	49.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0