3-Chloro-4-methoxycarbonylphenylboronic Acid - CAS 603122-82-3

Catalog:	BB030646
Product Name:	3-Chloro-4-methoxycarbonylphenylboronic Acid
CAS:	603122-82-3
Synonyms:	(3-chloro-4-methoxycarbonylphenyl)boronic acid; (3-chloro-4-methoxycarbonylphenyl)boronic acid

Technical Data

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Computed Properties

IUPAC Name:	(3-chloro-4-methoxycarbonylphenyl)boronic acid
Description:	3-Chloro-4-methoxycarbonylphenylboronic Acid (CAS# 603122-82-3) is a useful research chemical.
Molecular Weight:	214.41
Molecular Formula:	C8H8ClO4B
Canonical SMILES:	B(C1=CC(=C(C=C1)C(=O)OC)Cl)(O)O
InChI:	InChI=1S/C8H8BClO4/c1-14-8(11)6-3-2-5(9(12)13)4-7(6)10/h2-4,12-13H,1H3
InChI Key:	DJOMWLVGTUQULT-UHFFFAOYSA-N
Boiling Point:	384.364 °C at 760 mmHg
Density:	1.39 g/cm³
MDL:	MFCD06659874
LogP:	-0.19360

Publication Number	Title	Priority Date
CN-112812114-A	Isoxazole derivative, pharmaceutical composition containing isoxazole derivative, and preparation method and application of isoxazole derivative	20191115
WO-2021050555-A1	Compositions and uses thereof	20190910
AU-2018272359-A1	Lactam compound as FXR receptor agonist	20170526
CA-3064794-A1	Lactam compound as fxr receptor agonist	20170526
CN-110662743-A	Lactam compounds as FXR receptor agonists	20170526

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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:	214.0204166
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	214.0204166
Rotatable Bond Count:	3
Topological Polar Surface Area:	66.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0