3-(Cyclopentyloxy)phenylboronic Acid - CAS 959850-87-4

Catalog:	BB041928
Product Name:	3-(Cyclopentyloxy)phenylboronic Acid
CAS:	959850-87-4
Synonyms:	(3-cyclopentyloxyphenyl)boronic acid; (3-cyclopentyloxyphenyl)boronic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(3-cyclopentyloxyphenyl)boronic acid
Description:	3-(Cyclopentyloxy)phenylboronic Acid (CAS# 959850-87-4) is a useful research chemical.
Molecular Weight:	206.05
Molecular Formula:	C11H15O3B
Canonical SMILES:	B(C1=CC(=CC=C1)OC2CCCC2)(O)O
InChI:	InChI=1S/C11H15BO3/c13-12(14)9-4-3-7-11(8-9)15-10-5-1-2-6-10/h3-4,7-8,10,13-14H,1-2,5-6H2
InChI Key:	CGJBKPGDQSBMIY-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
MDL:	MFCD11103730
LogP:	0.68780

Publication Number	Title	Priority Date
WO-2014157382-A1	Sphingosine kinase inhibitor	20130329
EP-2558577-A1	Bi-functional 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

[2454490-85-6]
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[1219956-23-6]
2,4-Diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
[364044-44-0]
4'-Chloro-4-biphenylboronic Acid
[1245906-70-0]
Potassium (2-Chloro-5-pyrimidinyl)trifluoroborate
[1257724-90-5]
2-(3-Hydroxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
[1967833-52-8]
4-(4-Piperidyl)phenylboronic Acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	192
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	206.1114245
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	206.1114245
Rotatable Bond Count:	3
Topological Polar Surface Area:	49.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0