4-Fluoro-2-hydroxyphenylboronic Acid - CAS 850568-00-2

Catalog:	BB037433
Product Name:	4-Fluoro-2-hydroxyphenylboronic Acid
CAS:	850568-00-2
Synonyms:	(4-fluoro-2-hydroxyphenyl)boronic acid; (4-fluoro-2-hydroxyphenyl)boronic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(4-fluoro-2-hydroxyphenyl)boronic acid
Description:	4-Fluoro-2-hydroxyphenylboronic Acid (CAS# 850568-00-2) is a useful research chemical.
Molecular Weight:	155.92
Molecular Formula:	C6H6FO3B
Canonical SMILES:	B(C1=C(C=C(C=C1)F)O)(O)O
InChI:	InChI=1S/C6H6BFO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9-11H
InChI Key:	KOFNQIAWWVBBJZ-UHFFFAOYSA-N
Boiling Point:	323.2 °C at 760 mmHg
Density:	1.42 g/cm³
Appearance:	White solid
MDL:	MFCD04115662
LogP:	-0.78890

Publication Number	Title	Priority Date
WO-2021147882-A1	Dibenzofuran derivative cathepsin k inhibitor, preparation method therefor and medical use thereof	20200121
CN-111146496-A	Polymer electrolyte and lithium ion battery containing same	20191223
CN-111146496-B	Polymer electrolyte and lithium ion battery containing same	20191223
WO-2021008512-A1	Compound as nmt inhibitor and use thereof	20190718
US-2019343838-A1	Kras g12c inhibitors and methods of using the same	20180504

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Related Functional Groups

Boronic Acids and Esters

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2,4-Diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
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2-Methoxy-3-pyridylboronic Acid
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2-(3-Hydroxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
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2,3-Difluoro-4-hydroxyphenylboronic Acid Pinacol Ester

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:	133
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	156.0394024
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	156.0394024
Rotatable Bond Count:	1
Topological Polar Surface Area:	60.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0