2-Chloro-3-fluorophenylboronic Acid - CAS 871329-52-1

Catalog:	BB038283
Product Name:	2-Chloro-3-fluorophenylboronic Acid
CAS:	871329-52-1
Synonyms:	(2-chloro-3-fluorophenyl)boronic acid; (2-chloro-3-fluorophenyl)boronic acid

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Computed Properties

IUPAC Name:	(2-chloro-3-fluorophenyl)boronic acid
Description:	2-Chloro-3-fluorophenylboronic Acid (CAS# 871329-52-1) is a useful research chemical.
Molecular Weight:	174.37
Molecular Formula:	C6H5ClFO2B
Canonical SMILES:	B(C1=C(C(=CC=C1)F)Cl)(O)O
InChI:	InChI=1S/C6H5BClFO2/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,10-11H
InChI Key:	TYOGIUGNZOBBHE-UHFFFAOYSA-N
Boiling Point:	313.4 °C at 760 mmHg
Density:	1.41 g/cm³
MDL:	MFCD07363741
LogP:	0.15890

Publication Number	Title	Priority Date
US-2021269434-A1	Tricyclic compounds as inhibitors of kras	20200110
WO-2020223255-A1	3-amino-4h-benzo[e][1,2,4]thiadiazine 1,1-dioxide derivatives as inhibitors of mrgx2	20190429
TW-202106669-A	3-amino-4h-benzo[e][1,2,4]thiadiazine 1,1-dioxide derivatives as inhibitors of mrgx2	20190429
CN-111484491-A	Substituted pyrido-cyclic compounds, process for their preparation and their use	20190125
WO-2020081848-A1	Protein tyrosine phosphatase inhibitors	20181017

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Related Functional Groups

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3,5-Dicarboxyphenylboronic Acid
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[937796-06-0]
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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:	136
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	174.0055154
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	174.0055154
Rotatable Bond Count:	1
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0