2-Fluoro-4-(methoxycarbonyl)phenylboronic Acid - CAS 603122-84-5

Catalog:	BB030647
Product Name:	2-Fluoro-4-(methoxycarbonyl)phenylboronic Acid
CAS:	603122-84-5
Synonyms:	(2-fluoro-4-methoxycarbonylphenyl)boronic acid; (2-fluoro-4-methoxycarbonylphenyl)boronic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(2-fluoro-4-methoxycarbonylphenyl)boronic acid
Description:	2-Fluoro-4-(methoxycarbonyl)phenylboronic Acid (CAS# 603122-84-5) is a useful research chemical.
Molecular Weight:	197.96
Molecular Formula:	C8H8FO4B
Canonical SMILES:	B(C1=C(C=C(C=C1)C(=O)OC)F)(O)O
InChI:	InChI=1S/C8H8BFO4/c1-14-8(11)5-2-3-6(9(12)13)7(10)4-5/h2-4,12-13H,1H3
InChI Key:	BKWRLCIYMAYFPA-UHFFFAOYSA-N
Boiling Point:	355.1 °C at 760 mmHg
Density:	1.33 g/cm³
MDL:	MFCD07784197
LogP:	-0.70790

Publication Number	Title	Priority Date
WO-2021203023-A1	Indole derivatives as alpha-1 -antitrypsin modulators for treating alpha-1 -antitrypsin deficiency (aatd)	20200403
WO-2021147882-A1	Dibenzofuran derivative cathepsin k inhibitor, preparation method therefor and medical use thereof	20200121
CN-110628372-A	Flame-retardant adhesive	20191106
US-2020361939-A1	Modulators of alpha-1 antitrypsin	20190514
WO-2020247160-A1	Condensed tryciclic pyrroles as alpha-1 antitrypsin modulators	20190514

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Related Functional Groups

Boronic Acids and Esters

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1-(2-Cyanoethyl)-1H-pyrazole-4-boronic Acid Pinacol Ester
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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
[937796-06-0]
4-(3,5-Dimethyl-1-pyrazolyl)phenylboronic Acid Pinacol Ester
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Potassium (4-Cyanophenyl)trifluoroborate
[2246646-61-5]
2-(3-((4-Bromo-2-chlorophenoxy)methyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

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