3-Fluoro-4-(methoxycarbonyl)benzeneboronic Acid - CAS 505083-04-5

Catalog:	BB027086
Product Name:	3-Fluoro-4-(methoxycarbonyl)benzeneboronic Acid
CAS:	505083-04-5
Synonyms:	(3-fluoro-4-methoxycarbonylphenyl)boronic acid; (3-fluoro-4-methoxycarbonylphenyl)boronic acid

Technical Data

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Computed Properties

IUPAC Name:	(3-fluoro-4-methoxycarbonylphenyl)boronic acid
Description:	3-Fluoro-4-(methoxycarbonyl)benzeneboronic Acid (CAS# 505083-04-5) is a useful research chemical.
Molecular Weight:	197.96
Molecular Formula:	C8H8FO4B
Canonical SMILES:	B(C1=CC(=C(C=C1)C(=O)OC)F)(O)O
InChI:	InChI=1S/C8H8BFO4/c1-14-8(11)6-3-2-5(9(12)13)4-7(6)10/h2-4,12-13H,1H3
InChI Key:	YZYGXFXSMDUXJT-UHFFFAOYSA-N
Boiling Point:	195.3 °C at 760 mmHg
Density:	1.4 g/cm³
Appearance:	White powder
MDL:	MFCD04115665
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-2021127166-A1	Inhibitors of enl/af9 yeats	20191217
CN-112812114-A	Isoxazole derivative, pharmaceutical composition containing isoxazole derivative, and preparation method and application of isoxazole derivative	20191115
CN-112390852-A	Compound as protein degradation agent and preparation method and application thereof	20190814
US-2020361939-A1	Modulators of alpha-1 antitrypsin	20190514

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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