4-Hexylphenylboronic Acid - CAS 105365-50-2

Catalog:	BB001616
Product Name:	4-Hexylphenylboronic Acid
CAS:	105365-50-2
Synonyms:	(4-hexylphenyl)boronic acid; (4-hexylphenyl)boronic acid

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Computed Properties

IUPAC Name:	(4-hexylphenyl)boronic acid
Description:	4-Hexylphenylboronic Acid (CAS# 105365-50-2) is a useful research chemical.
Molecular Weight:	206.09
Molecular Formula:	C12H19O2B
Canonical SMILES:	B(C1=CC=C(C=C1)CCCCCC)(O)O
InChI:	InChI=1S/C12H19BO2/c1-2-3-4-5-6-11-7-9-12(10-8-11)13(14)15/h7-10,14-15H,2-6H2,1H3
InChI Key:	CFYBKGAFWFRFRJ-UHFFFAOYSA-N
Boiling Point:	342.6 °C at 760 mmHg
Density:	1 g/cm³
MDL:	MFCD04039029
LogP:	1.48920

Publication Number	Title	Priority Date
WO-2021019051-A1	Inhibitors of human atgl	20190730
KR-20200092211-A	Novel compound and organic light emitting device comprising the same	20190124
JP-2020019766-A	Compound and method for producing the same	20180723
JP-2020021063-A	Optical filter and display device	20180723
WO-2020022134-A1	Compound and method for producing same	20180723

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	154
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	206.1478100
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	206.1478100
Rotatable Bond Count:	6
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0