2-Fluoro-5-(methoxycarbonyl)phenylboronic Acid - CAS 850568-04-6

Catalog:	BB037434
Product Name:	2-Fluoro-5-(methoxycarbonyl)phenylboronic Acid
CAS:	850568-04-6
Synonyms:	(2-fluoro-5-methoxycarbonylphenyl)boronic acid; (2-fluoro-5-methoxycarbonylphenyl)boronic acid

Technical Data

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Computed Properties

IUPAC Name:	(2-fluoro-5-methoxycarbonylphenyl)boronic acid
Description:	2-Fluoro-5-(methoxycarbonyl)phenylboronic Acid (CAS# 850568-04-6) is a useful research chemical.
Molecular Weight:	197.96
Molecular Formula:	C8H8FO4B
Canonical SMILES:	B(C1=C(C=CC(=C1)C(=O)OC)F)(O)O
InChI:	InChI=1S/C8H8BFO4/c1-14-8(11)5-2-3-7(10)6(4-5)9(12)13/h2-4,12-13H,1H3
InChI Key:	MSASJWBQVSRTOE-UHFFFAOYSA-N
Boiling Point:	360.993 °C at 760 mmHg
Density:	1.339 g/cm³
Appearance:	White solid
LogP:	-0.70790

Publication Number	Title	Priority Date
WO-2021147882-A1	Dibenzofuran derivative cathepsin k inhibitor, preparation method therefor and medical use thereof	20200121
AU-2018350980-A1	Condensed imidazole derivatives substituted by tertiary hydroxy groups as PI3K-gamma inhibitors	20171018
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US-2019152975-A1	TERTIARY ALCOHOLS AS PI3K-y INHIBITORS	20171018
WO-2019079469-A1	CONDENSED IMIDAZOLE DERIVATIVES SUBSTITUTED WITH HYDROXY TERTIARY GROUPS AS INHIBITORS OF PI3K-GAMMA	20171018

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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:	212
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	198.0499671
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	198.0499671
Rotatable Bond Count:	3
Topological Polar Surface Area:	66.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0