3-Fluoro-5-methoxycarbonylphenylboronic Acid - CAS 871329-62-3

Catalog:	BB038288
Product Name:	3-Fluoro-5-methoxycarbonylphenylboronic Acid
CAS:	871329-62-3
Synonyms:	(3-fluoro-5-methoxycarbonylphenyl)boronic acid; (3-fluoro-5-methoxycarbonylphenyl)boronic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(3-fluoro-5-methoxycarbonylphenyl)boronic acid
Description:	3-Fluoro-5-methoxycarbonylphenylboronic Acid (CAS# 871329-62-3) is a useful research chemical.
Molecular Weight:	197.96
Molecular Formula:	C8H8FO4B
Canonical SMILES:	B(C1=CC(=CC(=C1)F)C(=O)OC)(O)O
InChI:	InChI=1S/C8H8BFO4/c1-14-8(11)5-2-6(9(12)13)4-7(10)3-5/h2-4,12-13H,1H3
InChI Key:	VKHJVASTGLPBBL-UHFFFAOYSA-N
Boiling Point:	372.5 °C at 760 mmHg
Density:	1.33 g/cm³
Appearance:	White powder
LogP:	-0.70790

Publication Number	Title	Priority Date
WO-2021090030-A1	Gpr52 modulator compounds	20191108
CN-112480116-A	PKB inhibitors	20190911
US-2020361939-A1	Modulators of alpha-1 antitrypsin	20190514
WO-2020247160-A1	Condensed tryciclic pyrroles as alpha-1 antitrypsin modulators	20190514
KR-20190110736-A	Novel triazolone derivatives or its salt and pharmaceutical compositions comprising the same	20180321

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Related Functional Groups

Boronic Acids and Esters

[10365-98-7]
3-Methoxybenzeneboronic Acid
[937796-06-0]
4-(3,5-Dimethyl-1-pyrazolyl)phenylboronic Acid Pinacol Ester
[1450835-21-8]
(6-Chlorobenzo[b]thiophen-2-yl)boronic acid
[1029439-85-7]
2,3-Difluoro-4-hydroxyphenylboronic Acid Pinacol Ester
[2247367-07-1]
4,4,4',4',5,5,5',5'-octaethyl-2,2'-bi(1,3,2-dioxaborolane)
[70557-99-2]
Iodomethylboronic 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:	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