5-Chloro-2-cyanophenylboronic Acid - CAS 1072946-52-1

Name: 5-Chloro-2-cyanophenylboronic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB002032
Product Name:	5-Chloro-2-cyanophenylboronic Acid
CAS:	1072946-52-1
Synonyms:	(5-chloro-2-cyanophenyl)boronic acid; (5-chloro-2-cyanophenyl)boronic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	(5-chloro-2-cyanophenyl)boronic acid
Description:	5-Chloro-2-cyanophenylboronic Acid (CAS# 1072946-52-1) is a useful research chemical.
Molecular Weight:	181.38
Molecular Formula:	C7H5ClNO2B
Canonical SMILES:	B(C1=C(C=CC(=C1)Cl)C#N)(O)O
InChI:	InChI=1S/C7H5BClNO2/c9-6-2-1-5(4-10)7(3-6)8(11)12/h1-3,11-12H
InChI Key:	JXIINQQPEHZQAY-UHFFFAOYSA-N
Storage:	Inert atmosphere, 2-8 °C
LogP:	-0.10852

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Related Functional Groups

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Publication Number	Title	Priority Date
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
AU-2017289974-A1	Biarylmethyl heterocycles	20160629
CA-3029630-A1	Biarylmethyl heterocycles	20160629
EP-3478672-A1	Biarylmethyl heterocycles	20160629

Complexity:	203
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	181.0101863
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	181.0101863
Rotatable Bond Count:	1
Topological Polar Surface Area:	64.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0