4-Chloro-3-(methoxycarbonyl)phenylboronic Acid - CAS 874219-45-1

Catalog:	BB038435
Product Name:	4-Chloro-3-(methoxycarbonyl)phenylboronic Acid
CAS:	874219-45-1
Synonyms:	(4-chloro-3-methoxycarbonylphenyl)boronic acid; (4-chloro-3-methoxycarbonylphenyl)boronic acid

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Computed Properties

IUPAC Name:	(4-chloro-3-methoxycarbonylphenyl)boronic acid
Description:	4-Chloro-3-(methoxycarbonyl)phenylboronic Acid (CAS# 874219-45-1) is a useful research chemical.
Molecular Weight:	214.41
Molecular Formula:	C8H8ClO4B
Canonical SMILES:	B(C1=CC(=C(C=C1)Cl)C(=O)OC)(O)O
InChI:	InChI=1S/C8H8BClO4/c1-14-8(11)6-4-5(9(12)13)2-3-7(6)10/h2-4,12-13H,1H3
InChI Key:	YEPWHDGFBVDINZ-UHFFFAOYSA-N
Boiling Point:	384.205 °C at 760 mmHg
Density:	1.39 g/cm³
Appearance:	White solid
MDL:	MFCD06801690
LogP:	-0.19360

Publication Number	Title	Priority Date
WO-2020164993-A1	Pesticidally active pyrazole derivatives	20190213
WO-2020164994-A1	Pesticidally active pyrazole derivatives	20190213
CN-111050559-A	Pesticidally active pyrazole derivatives	20170811
EP-3664611-A1	Pesticidally active pyrazole derivatives	20170811
WO-2019030359-A1	PYRAZOLE DERIVATIVES WITH PESTICIDE ACTIVITY	20170811

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Related Functional Groups

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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